Molecule ID: 2808202

IUPAC Name: methyl 3-[(2-thiophen-2-ylacetyl)amino]thiophene-2-carboxylate

Description: The molecule is a carboxamide resulting from the formal condensation of the carboxy group of 2-thienylacetic acid with the amino group of methyl 3-aminothiophene-2-carboxylate. It is a selective inhibitor of c-Jun N-terminal kinases (JNKs). It has a role as a c-Jun N-terminal kinase inhibitor. It is a methyl ester, a member of thiophenes and a secondary carboxamide. It derives from a 2-thienylacetic acid.

SMILES: COC(=O)c1sccc1N=C(O)Cc1cccs1

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

InChI: InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 2.8