2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid

C13H11NO3S — CID 24708997

IUPAC2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1ccsc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H11NO3S/c1-8-6-7-18-11(8)12(15)14-10-5-3-2-4-9(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyJKFQAFBXHOLMDG-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.01
Rot. Bonds3

About 2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid

2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid (PubChem CID 24708997) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
PubChem CID24708997
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1ccsc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H11NO3S/c1-8-6-7-18-11(8)12(15)14-10-5-3-2-4-9(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyJKFQAFBXHOLMDG-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 2-[(3-methylthiophene-2-carbonyl)amino]benzoic 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

3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740
N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide
CID 112770069
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
CID 26515720
3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 107046881
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 18071798
2-[(3-methylthiophene-2-carbonyl)amino]-4-nitrobenzoic acid
CID 63110771
3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 35728610

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid (CID 24708997) is 2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid is Cc1ccsc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is JKFQAFBXHOLMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-8-6-7-18-11(8)12(15)14-10-5-3-2-4-9(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
2-[(3-methylthiophene-2-carbonyl)amino]benzoic 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 2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 24708997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).