5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid

C20H16ClNO3S — CID 69490279

IUPAC5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)s1)c1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C20H16ClNO3S/c1-12(22-19(23)17-9-10-18(26-17)20(24)25)13-5-4-6-14(11-13)15-7-2-3-8-16(15)21/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyVUQVWLOWHDSNOI-UHFFFAOYSA-N
MW385.87 g/mol
LogP5.26
Rot. Bonds5

About 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid

5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 69490279) has the molecular formula C20H16ClNO3S and a molecular weight of 385.87 g/mol. Its IUPAC name is 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID69490279
Molecular FormulaC20H16ClNO3S
Molecular Weight385.87 g/mol
Exact Mass385.05
IUPAC Name5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)s1)c1cccc(-c2ccccc2Cl)c1
InChIInChI=1S/C20H16ClNO3S/c1-12(22-19(23)17-9-10-18(26-17)20(24)25)13-5-4-6-14(11-13)15-7-2-3-8-16(15)21/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyVUQVWLOWHDSNOI-UHFFFAOYSA-N
XLogP5.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.87
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]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-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 11689522
5-acetyl-N-[(1S)-1-(4-phenylphenyl)ethyl]thiophene-2-carboxamide
CID 39996366
methyl 5-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]thiophene-2-carboxylate
CID 55804119
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60629480
methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide
CID 123228941
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119186029
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
5-[1-[4-(trifluoromethylsulfanyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid
CID 141127456

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid (CID 69490279) is 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid is CC(NC(=O)c1ccc(C(=O)O)s1)c1cccc(-c2ccccc2Cl)c1.
What is the InChIKey of 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is VUQVWLOWHDSNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3S/c1-12(22-19(23)17-9-10-18(26-17)20(24)25)13-5-4-6-14(11-13)15-7-2-3-8-16(15)21/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid?
5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 385.87 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(2-chlorophenyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 69490279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).