3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid

C13H10ClNO4S — CID 63742413

IUPAC3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNO4S/c1-19-9-3-2-7(13(17)18)6-8(9)15-12(16)10-4-5-11(14)20-10/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyRUOWSVWHIKMUKS-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.36
Rot. Bonds4

About 3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid

3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid (PubChem CID 63742413) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is 3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
PubChem CID63742413
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClNO4S/c1-19-9-3-2-7(13(17)18)6-8(9)15-12(16)10-4-5-11(14)20-10/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyRUOWSVWHIKMUKS-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

3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid
CID 43406221
2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid
CID 78980996
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide
CID 55964273
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-4-methoxybenzoic acid
CID 63744459
3-(but-2-enoylamino)-4-methoxybenzoic acid
CID 77004878
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 63744614
3-[(3,4-dichlorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 1328927

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid (CID 63742413) is 3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid?
The InChIKey is RUOWSVWHIKMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c1-19-9-3-2-7(13(17)18)6-8(9)15-12(16)10-4-5-11(14)20-10/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid?
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic 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-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 63742413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).