2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

C15H14ClNO3S — CID 82877767

IUPAC2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1ccc(Cl)cc1C(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C15H14ClNO3S/c1-7-4-5-10(16)6-11(7)13(18)17-14-12(15(19)20)8(2)9(3)21-14/h4-6H,1-3H3,(H,17,18)(H,19,20)
InChIKeyPBGHPQNDTCUTEM-UHFFFAOYSA-N
MW323.80 g/mol
LogP4.28
Rot. Bonds3

About 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 82877767) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID82877767
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1ccc(Cl)cc1C(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C15H14ClNO3S/c1-7-4-5-10(16)6-11(7)13(18)17-14-12(15(19)20)8(2)9(3)21-14/h4-6H,1-3H3,(H,17,18)(H,19,20)
InChIKeyPBGHPQNDTCUTEM-UHFFFAOYSA-N
XLogP4.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-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-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777479
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 29280549
4,5-dimethyl-2-[(4-methylnaphthalene-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 175140929
4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802404
2-[(4-bromo-3-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 81289030
methyl 2-[(5-fluoro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 33075863
4,5-dimethyl-2-[[2-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 16775676
propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 5185070
2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56824654
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide
CID 18089620

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 82877767) is 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is Cc1ccc(Cl)cc1C(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is PBGHPQNDTCUTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-7-4-5-10(16)6-11(7)13(18)17-14-12(15(19)20)8(2)9(3)21-14/h4-6H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 323.80 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 82877767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).