5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid

C12H8ClNO3S — CID 43474930

IUPAC5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClNO3S/c13-8-3-1-7(2-4-8)11(15)14-10-6-5-9(18-10)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyHTRMZTBLWBAPSR-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.35
Rot. Bonds3

About 5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid

5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 43474930) has the molecular formula C12H8ClNO3S and a molecular weight of 281.72 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID43474930
Molecular FormulaC12H8ClNO3S
Molecular Weight281.72 g/mol
Exact Mass280.99
IUPAC Name5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClNO3S/c13-8-3-1-7(2-4-8)11(15)14-10-6-5-9(18-10)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyHTRMZTBLWBAPSR-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(4-chlorobenzoyl)amino]thiophene-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

Related Compounds

5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 11392290
5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 43474861
5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 55153618
5-[(6-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 113323241
4-chloro(13C)benzoic acid
CID 66995527
2-[(4-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 827845
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 42928444
4-chloro-N-thiophen-3-ylbenzamide
CID 174503980
4-chloro-N-hydroxybenzamide
CID 587178
5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474864
5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43639320

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid (CID 43474930) is 5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccc(C(=O)O)s1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is HTRMZTBLWBAPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3S/c13-8-3-1-7(2-4-8)11(15)14-10-6-5-9(18-10)12(16)17/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid?
5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 281.72 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).