Molecule ID: 766948

IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide

Description: The molecule is a member of the class of benzamides obtained by formal condensation of the carboxy group of 2-fluorobenzoic acid with the amino group of 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of benzamides, a member of monofluorobenzenes, a nitrile and a member of 1-benzothiophenes.

SMILES: N#Cc1c(N=C(O)c2ccccc2F)sc2c1CCCC2

SELFIES: [N][#C][C][=C][Branch1][#C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][C][=C][Ring1][#C][C][C][C][C][Ring1][=Branch1]

InChI: InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)

Molecular Properties:
- Polar Surface Area: 81.1 Ų
- LogP: 4.4