EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	24A2T46V3J
EPA CompTox	DTXSID40182137

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

24A2T46V3J

EPA CompTox

DTXSID40182137


InChI Key	JFYDGNATTIHYIB-UHFFFAOYSA-N
Smiles	CSc1ccc(NC(=O)C=C)cc1
InChI	InChI=1S/C10H11NOS/c1-3-10(12)11-8-4-6-9(13-2)7-5-8/h3-7H,1H2,2H3,(H,11,12)

InChI Key

JFYDGNATTIHYIB-UHFFFAOYSA-N

Smiles

CSc1ccc(NC(=O)C=C)cc1

InChI

InChI=1S/C10H11NOS/c1-3-10(12)11-8-4-6-9(13-2)7-5-8/h3-7H,1H2,2H3,(H,11,12)

Property Name	Value
Molecular Formula	C10H11N1O1S1
Molecular Weight	193.06
AlogP	2.53
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	29.1
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H11N1O1S1

Molecular Weight

193.06

AlogP

2.53

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

29.1

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	27817-73-8
NORMAN SUSDAT
FDA SRS	24A2T46V3J
PubChem	119723
ChemSpider	82409.0

Resources

Reference

CAS NUMBER

27817-73-8

NORMAN SUSDAT

FDA SRS

24A2T46V3J

PubChem

119723

ChemSpider

82409.0

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

N-(4-(METHYLTHIO)PHENYL)ACRYLAMIDE

Structure

Physicochemical Descriptors

Cross References