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

C13H10ClNO4S — CID 81126498

IUPAC2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
SMILESCOc1ccsc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C13H10ClNO4S/c1-19-10-4-5-20-11(10)12(16)15-7-2-3-8(13(17)18)9(14)6-7/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeySWVUIOSAGFODEN-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.36
Rot. Bonds4

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

2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid (PubChem CID 81126498) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is 2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
PubChem CID81126498
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
SMILESCOc1ccsc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C13H10ClNO4S/c1-19-10-4-5-20-11(10)12(16)15-7-2-3-8(13(17)18)9(14)6-7/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeySWVUIOSAGFODEN-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-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81118004
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126917
3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 75369910
3-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide;hydrochloride
CID 119581048
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 81361370
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
N-(3-chloro-4-methoxyphenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849036
3-[[3-[(3-methoxythiophene-2-carbonyl)amino]phenyl]methylsulfanyl]propanoic acid
CID 119240995
2-chloro-4-[(3-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 119178957
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid (CID 81126498) is 2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid is COc1ccsc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is SWVUIOSAGFODEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c1-19-10-4-5-20-11(10)12(16)15-7-2-3-8(13(17)18)9(14)6-7/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid?
2-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 2-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81126498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).