EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6TR7YLR4NY
EPA CompTox	DTXSID6065006

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6TR7YLR4NY

EPA CompTox

DTXSID6065006


InChI Key	FZFDAJRZDGMCLE-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCSCC(=O)N
InChI	InChI=1S/C14H29NOS/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H2,15,16)

InChI Key

FZFDAJRZDGMCLE-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCSCC(=O)N

InChI

InChI=1S/C14H29NOS/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H2,15,16)

Property Name	Value
Molecular Formula	C14H29N1O1S1
Molecular Weight	259.2
AlogP	5.18
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	13.0
Polar Surface Area	44.08
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H29N1O1S1

Molecular Weight

259.2

AlogP

5.18

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

13.0

Polar Surface Area

44.08

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	10220-53-8
NORMAN SUSDAT
FDA SRS	6TR7YLR4NY
PubChem	82463
ChemSpider	74421.0

Resources

Reference

CAS NUMBER

10220-53-8

NORMAN SUSDAT

FDA SRS

6TR7YLR4NY

PubChem

82463

ChemSpider

74421.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ACETAMIDE, 2-(DODECYLTHIO)-

Structure

Physicochemical Descriptors

Cross References