4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid

C13H11NO3S — CID 82371184

IUPAC4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1cscc1C(=O)O
InChIInChI=1S/C13H11NO3S/c1-8-4-2-3-5-9(8)12(15)14-11-7-18-6-10(11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyRYECRTGLEDGFPT-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.01
Rot. Bonds3

About 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid

4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 82371184) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID82371184
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1cscc1C(=O)O
InChIInChI=1S/C13H11NO3S/c1-8-4-2-3-5-9(8)12(15)14-11-7-18-6-10(11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyRYECRTGLEDGFPT-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
CID 151566015
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
4-(2-chloro-3-methylanilino)thiophene-3-carboxylic acid
CID 3014942
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N-(2-aminophenyl)-4-methylthiophene-3-carboxamide
CID 79802569

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid (CID 82371184) is 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid is Cc1ccccc1C(=O)Nc1cscc1C(=O)O.
What is the InChIKey of 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is RYECRTGLEDGFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-8-4-2-3-5-9(8)12(15)14-11-7-18-6-10(11)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid?
4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 261.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 82371184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).