3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid

C13H10ClNO4S — CID 81126917

IUPAC3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
SMILESCOc1ccsc1C(=O)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C13H10ClNO4S/c1-19-10-4-5-20-11(10)12(16)15-9-3-2-7(13(17)18)6-8(9)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyBXRHHNQXNPRWNS-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.36
Rot. Bonds4

About 3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid

3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid (PubChem CID 81126917) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is 3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
PubChem CID81126917
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
SMILESCOc1ccsc1C(=O)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C13H10ClNO4S/c1-19-10-4-5-20-11(10)12(16)15-9-3-2-7(13(17)18)6-8(9)14/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyBXRHHNQXNPRWNS-UHFFFAOYSA-N
XLogP3.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126498
3-chloro-4-[(3-chloro-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 103400150
3-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860597
4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 80644550
N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
CID 4594147
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
CID 81003488
3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 122159202
N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
3-chloro-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809864
3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16774257

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid (CID 81126917) is 3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid is COc1ccsc1C(=O)Nc1ccc(C(=O)O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is BXRHHNQXNPRWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c1-19-10-4-5-20-11(10)12(16)15-9-3-2-7(13(17)18)6-8(9)14/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 311.75 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81126917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).