5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid

C12H9NO4S — CID 893990

IUPAC5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1cccs1
InChIInChI=1S/C12H9NO4S/c14-7-3-4-9(8(6-7)12(16)17)13-11(15)10-2-1-5-18-10/h1-6,14H,(H,13,15)(H,16,17)
InChIKeyDVPYPJCHKZKOJU-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.40
Rot. Bonds3

About 5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid

5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid (PubChem CID 893990) has the molecular formula C12H9NO4S and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid
PubChem CID893990
Molecular FormulaC12H9NO4S
Molecular Weight263.27 g/mol
Exact Mass263.03
IUPAC Name5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1cccs1
InChIInChI=1S/C12H9NO4S/c14-7-3-4-9(8(6-7)12(16)17)13-11(15)10-2-1-5-18-10/h1-6,14H,(H,13,15)(H,16,17)
InChIKeyDVPYPJCHKZKOJU-UHFFFAOYSA-N
XLogP2.40
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-hydroxy-2-(thiophene-2-carbonylamino)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

Avenanthramide A
CID 5281157
5-Hydroxy-2-(((2E,4E)-5-(4-hydroxyphenyl)-1-oxo-2,4-pentadien-1-yl)amino)benzoic acid
CID 101688490
2-(Thiophene-2-amido)benzoic acid
CID 643302
3-[(3-Phenoxybenzoyl)amino]-2-thiophenecarboxylic acid
CID 3439320
2-(thiophen-3-ylmethylamino)benzoic Acid
CID 1939718
N-{4-[(4-hydroxyphenyl)carbamoyl]phenyl}thiophene-2-carboxamide
CID 880338
3-[(Aminocarbonyl)amino]-5-(3-hydroxyphenyl)-2-thiophenecarboxamide
CID 9965424
5-hydroxy-2-({4-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid
CID 17578811
2-[(2-Thienylmethyl)amino]benzoic acid
CID 6472859
5-Hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid
CID 804660
2-({[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl}amino)-5-hydroxybenzoic acid
CID 6226480
5-hydroxy-2-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
CID 6227369

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid?
The IUPAC name of 5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid (CID 893990) is 5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid is O=C(Nc1ccc(O)cc1C(=O)O)c1cccs1.
What is the InChIKey of 5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid?
The InChIKey is DVPYPJCHKZKOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4S/c14-7-3-4-9(8(6-7)12(16)17)13-11(15)10-2-1-5-18-10/h1-6,14H,(H,13,15)(H,16,17).
What are the key properties of 5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid?
5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid has a molecular weight of 263.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(thiophene-2-carbonylamino)benzoic acid is sourced from PubChem (CID 893990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).