2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid

C19H16ClNO3S — CID 110500861

IUPAC2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid
SMILESCCCc1c(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)sc2ccccc12
InChIInChI=1S/C19H16ClNO3S/c1-2-5-13-12-6-3-4-7-16(12)25-17(13)18(22)21-11-8-9-15(20)14(10-11)19(23)24/h3-4,6-10H,2,5H2,1H3,(H,21,22)(H,23,24)
InChIKeyIIZBQWSTRVCQER-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.46
Rot. Bonds5

About 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid

2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid (PubChem CID 110500861) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid
PubChem CID110500861
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid
SMILESCCCc1c(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)sc2ccccc12
InChIInChI=1S/C19H16ClNO3S/c1-2-5-13-12-6-3-4-7-16(12)25-17(13)18(22)21-11-8-9-15(20)14(10-11)19(23)24/h3-4,6-10H,2,5H2,1H3,(H,21,22)(H,23,24)
InChIKeyIIZBQWSTRVCQER-UHFFFAOYSA-N
XLogP5.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.86
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic 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

N-(4-tert-butylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500865
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110500854
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110500920
N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110500842
N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110503327
N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500869
methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 110503326
N-(2,3-dimethylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500805
N-(4-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 4083903
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110503312
N-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500728
3-[[3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carbonyl]amino]benzoic acid
CID 110500632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid (CID 110500861) is 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid is CCCc1c(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)sc2ccccc12.
What is the InChIKey of 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is IIZBQWSTRVCQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-2-5-13-12-6-3-4-7-16(12)25-17(13)18(22)21-11-8-9-15(20)14(10-11)19(23)24/h3-4,6-10H,2,5H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid?
2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 373.86 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 110500861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).