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

C13H11NO4S — CID 138042482

IUPAC2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1csc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C13H11NO4S/c1-7-4-11(19-6-7)12(16)14-8-2-3-10(15)9(5-8)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyDDORVWHTSYQGKY-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.71
Rot. Bonds3

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

2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid (PubChem CID 138042482) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid
PubChem CID138042482
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1csc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C13H11NO4S/c1-7-4-11(19-6-7)12(16)14-8-2-3-10(15)9(5-8)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeyDDORVWHTSYQGKY-UHFFFAOYSA-N
XLogP2.71
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43353089
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
CID 110861965
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 104850638
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 115295861
2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 28777043
5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 63802750
5-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63653834

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid (CID 138042482) is 2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid is Cc1csc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c1.
What is the InChIKey of 2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is DDORVWHTSYQGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c1-7-4-11(19-6-7)12(16)14-8-2-3-10(15)9(5-8)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid?
2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 277.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 138042482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).