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

C13H10ClNO4S — CID 81117783

IUPAC4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid
SMILESCOc1csc(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C13H10ClNO4S/c1-19-8-5-11(20-6-8)12(16)15-10-4-7(14)2-3-9(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyBYRWEFFICUWEDV-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.36
Rot. Bonds4

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

4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid (PubChem CID 81117783) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is 4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid
PubChem CID81117783
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid
SMILESCOc1csc(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1
InChIInChI=1S/C13H10ClNO4S/c1-19-8-5-11(20-6-8)12(16)15-10-4-7(14)2-3-9(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyBYRWEFFICUWEDV-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

N-(5-chloro-2-cyanophenyl)-4-methoxythiophene-2-carboxamide
CID 81122801
4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid
CID 45436153
N-(2-chloro-3-pyridinyl)-4-methoxythiophene-2-carboxamide
CID 103719575
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-4-chlorobenzoic acid
CID 79981518
2-[(4-methoxythiophene-2-carbonyl)amino]-3,5-dimethylbenzoic acid
CID 81121334
2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid
CID 43354294
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860596
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
4-chloro-2-[(5-nitrothiophene-3-carbonyl)amino]benzoic acid
CID 60811702
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid (CID 81117783) is 4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid is COc1csc(C(=O)Nc2cc(Cl)ccc2C(=O)O)c1.
What is the InChIKey of 4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is BYRWEFFICUWEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c1-19-8-5-11(20-6-8)12(16)15-10-4-7(14)2-3-9(10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid?
4-chloro-2-[(4-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 4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81117783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).