3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid

C19H15NO3S — CID 503527

IUPAC3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)O)cc1
InChIInChI=1S/C19H15NO3S/c1-12-7-9-14(10-8-12)18(21)20-15-11-16(24-17(15)19(22)23)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyUOPWSCWEIVISCZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.67
Rot. Bonds4

About 3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid

3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid (PubChem CID 503527) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
PubChem CID503527
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)O)cc1
InChIInChI=1S/C19H15NO3S/c1-12-7-9-14(10-8-12)18(21)20-15-11-16(24-17(15)19(22)23)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyUOPWSCWEIVISCZ-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-phenylthiophene-2-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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid (CID 503527) is 3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid is Cc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
The InChIKey is UOPWSCWEIVISCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-12-7-9-14(10-8-12)18(21)20-15-11-16(24-17(15)19(22)23)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid?
3-[(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic 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-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 503527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).