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

C19H14ClNO3S — CID 1353745

IUPAC2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3Cl)c2C(=O)O)cc1
InChIInChI=1S/C19H14ClNO3S/c1-11-6-8-12(9-7-11)14-10-25-18(16(14)19(23)24)21-17(22)13-4-2-3-5-15(13)20/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyPEYRAAWXWHOZFA-UHFFFAOYSA-N
MW371.85 g/mol
LogP5.33
Rot. Bonds4

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

2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid (PubChem CID 1353745) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
PubChem CID1353745
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Name2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3Cl)c2C(=O)O)cc1
InChIInChI=1S/C19H14ClNO3S/c1-11-6-8-12(9-7-11)14-10-25-18(16(14)19(23)24)21-17(22)13-4-2-3-5-15(13)20/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyPEYRAAWXWHOZFA-UHFFFAOYSA-N
XLogP5.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.85
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze 2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid (CID 1353745) is 2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid is Cc1ccc(-c2csc(NC(=O)c3ccccc3Cl)c2C(=O)O)cc1.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
The InChIKey is PEYRAAWXWHOZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c1-11-6-8-12(9-7-11)14-10-25-18(16(14)19(23)24)21-17(22)13-4-2-3-5-15(13)20/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid has a molecular weight of 371.85 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 1353745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).