3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid

C19H15NO3S — CID 164615134

IUPAC3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3cccs3)c2)cc1
InChIInChI=1S/C19H15NO3S/c1-12-4-6-13(7-5-12)18(21)20-16-10-14(17-3-2-8-24-17)9-15(11-16)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyUHZCYGZXLCKWOH-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.67
Rot. Bonds4

About 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid

3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid (PubChem CID 164615134) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid
PubChem CID164615134
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3cccs3)c2)cc1
InChIInChI=1S/C19H15NO3S/c1-12-4-6-13(7-5-12)18(21)20-16-10-14(17-3-2-8-24-17)9-15(11-16)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyUHZCYGZXLCKWOH-UHFFFAOYSA-N
XLogP4.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic 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

4-(Thiophene-2-amido)benzoic acid
CID 746807
2-(Thiophene-2-amido)benzoic acid
CID 643302
3-[(4-phenylphenyl)carbamoyl]thiophene-2-carboxylic Acid
CID 9861992
4-[(4-Phenylphenyl)carbamoyl]thiophene-3-carboxylic acid
CID 23647302
SARS-CoV-2 PLpro Inhibitor, 75
CID 156907319
3-(Isopropyl(4-Methylbenzoyl)Amino)-5-Phenylthiophene-2-Carboxylic Acid
CID 503535
5-Acetamido-2-(2-carboxyphenylthio)benzoic acid
CID 2824963
4-Methyl-3-[(thiophen-2-ylcarbonyl)amino]benzoic acid
CID 743768
NEP inhibitor, 6k
CID 9797197
2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid
CID 709222
4-((4-Methylphenyl)thio)-3-((1-oxobutyl)amino)benzoic acid
CID 5085666
4-[(4-Methylphenyl)thio]-3-(propionylamino)benzoic acid
CID 5085669

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid (CID 164615134) is 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3cccs3)c2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid?
The InChIKey is UHZCYGZXLCKWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-12-4-6-13(7-5-12)18(21)20-16-10-14(17-3-2-8-24-17)9-15(11-16)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid?
3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid has a molecular weight of 337.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]-5-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 164615134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).