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

C19H14ClNO3S — CID 58191544

IUPAC2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cc1
InChIInChI=1S/C19H14ClNO3S/c1-11-2-4-13(5-3-11)18(22)21-15-10-25-17(16(15)19(23)24)12-6-8-14(20)9-7-12/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyHFCCJNNPUSXLLW-UHFFFAOYSA-N
MW371.85 g/mol
LogP5.33
Rot. Bonds4

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

2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 58191544) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID58191544
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Name2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cc1
InChIInChI=1S/C19H14ClNO3S/c1-11-2-4-13(5-3-11)18(22)21-15-10-25-17(16(15)19(23)24)12-6-8-14(20)9-7-12/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyHFCCJNNPUSXLLW-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

Analyze 2-(4-chlorophenyl)-4-[(4-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

2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 67052256
4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 58191269
2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 67052318
2-(4-bromophenyl)-4-[[4-(dimethylamino)benzoyl]amino]thiophene-3-carboxylic acid
CID 58191570
4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 67052333
2-(4-bromophenyl)-4-[[4-(1,1-difluoroethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 58191425
4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid
CID 67052311
2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
CID 58191384
2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 58191184
2-(4-chlorophenyl)-4-[(2,4,5-trifluoro-3-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250619
2-(4-chlorophenyl)-4-[(2,4,5-trichloro-3-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250438
2-(6-chloro-3-pyridinyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191464

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid (CID 58191544) is 2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid is Cc1ccc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is HFCCJNNPUSXLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c1-11-2-4-13(5-3-11)18(22)21-15-10-25-17(16(15)19(23)24)12-6-8-14(20)9-7-12/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]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-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 58191544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).