EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	59H17J9F1B
EPA CompTox	DTXSID80190796

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

59H17J9F1B

EPA CompTox

DTXSID80190796


InChI Key	BZGIPVGCJGXQTA-UHFFFAOYSA-N
Smiles	O=C(SCCN(CC)CC)N(C=1C=CC=CC1)C=2C=CC=CC2
InChI	InChI=1/C19H24N2OS/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3

InChI Key

BZGIPVGCJGXQTA-UHFFFAOYSA-N

Smiles

O=C(SCCN(CC)CC)N(C=1C=CC=CC1)C=2C=CC=CC2

InChI

InChI=1/C19H24N2OS/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3

Property Name	Value
Molecular Formula	C19H24N2OS
Molecular Weight	328.16
AlogP	5.02
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	23.55
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H24N2OS

Molecular Weight

328.16

AlogP

5.02

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

23.55

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	3735-90-8
NORMAN SUSDAT
FDA SRS	59H17J9F1B
PubChem	6008

Resources

Reference

CAS NUMBER

3735-90-8

NORMAN SUSDAT

FDA SRS

59H17J9F1B

PubChem

6008

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

FENCARBAMIDE

Structure

Physicochemical Descriptors

Cross References