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

C13H10ClNO4S — CID 78980996

IUPAC2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2ccc(Cl)s2)c(C(=O)O)c1
InChIInChI=1S/C13H10ClNO4S/c1-19-7-2-3-9(8(6-7)13(17)18)15-12(16)10-4-5-11(14)20-10/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyZKFFWVTWXLMCPQ-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.36
Rot. Bonds4

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

2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid (PubChem CID 78980996) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is 2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid
PubChem CID78980996
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2ccc(Cl)s2)c(C(=O)O)c1
InChIInChI=1S/C13H10ClNO4S/c1-19-7-2-3-9(8(6-7)13(17)18)15-12(16)10-4-5-11(14)20-10/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyZKFFWVTWXLMCPQ-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

5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid
CID 43406221
2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410990
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410909
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
CID 106851150
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 4176864
5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
CID 115410954

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid?
The IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid (CID 78980996) is 2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid is COc1ccc(NC(=O)c2ccc(Cl)s2)c(C(=O)O)c1.
What is the InChIKey of 2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid?
The InChIKey is ZKFFWVTWXLMCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c1-19-7-2-3-9(8(6-7)13(17)18)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 2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid?
2-[(5-chlorothiophene-2-carbonyl)amino]-5-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 2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid is sourced from PubChem (CID 78980996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).