4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid

C13H12N2O3S — CID 55178097

IUPAC4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(N)ccc2C(=O)O)s1
InChIInChI=1S/C13H12N2O3S/c1-7-2-5-11(19-7)12(16)15-10-6-8(14)3-4-9(10)13(17)18/h2-6H,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyQZEKQONGVVXZCG-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.59
Rot. Bonds3

About 4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid

4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid (PubChem CID 55178097) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid
PubChem CID55178097
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(N)ccc2C(=O)O)s1
InChIInChI=1S/C13H12N2O3S/c1-7-2-5-11(19-7)12(16)15-10-6-8(14)3-4-9(10)13(17)18/h2-6H,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyQZEKQONGVVXZCG-UHFFFAOYSA-N
XLogP2.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 18072015
N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide
CID 43548914
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 63116147
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
CID 18070471
N-(2-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 55169355
4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 63258266
N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 43549139
5-amino-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981158
4-amino-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727925

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid (CID 55178097) is 4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2cc(N)ccc2C(=O)O)s1.
What is the InChIKey of 4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is QZEKQONGVVXZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-2-5-11(19-7)12(16)15-10-6-8(14)3-4-9(10)13(17)18/h2-6H,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid?
4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 276.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 55178097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).