2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid

C14H13NO4S — CID 61405863

IUPAC2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
SMILESCc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)sc1C
InChIInChI=1S/C14H13NO4S/c1-7-5-12(20-8(7)2)13(17)15-11-4-3-9(16)6-10(11)14(18)19/h3-6,16H,1-2H3,(H,15,17)(H,18,19)
InChIKeyWTEMRXQLLWLBMY-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.02
Rot. Bonds3

About 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid

2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid (PubChem CID 61405863) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
PubChem CID61405863
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
SMILESCc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)sc1C
InChIInChI=1S/C14H13NO4S/c1-7-5-12(20-8(7)2)13(17)15-11-4-3-9(16)6-10(11)14(18)19/h3-6,16H,1-2H3,(H,15,17)(H,18,19)
InChIKeyWTEMRXQLLWLBMY-UHFFFAOYSA-N
XLogP3.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.02
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 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic 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

5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 62867660
5-hydroxy-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 80722230
5-bromo-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981101
N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid
CID 61406156
5-amino-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981158
N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31504674
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653051

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid (CID 61405863) is 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid is Cc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)sc1C.
What is the InChIKey of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid?
The InChIKey is WTEMRXQLLWLBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-7-5-12(20-8(7)2)13(17)15-11-4-3-9(16)6-10(11)14(18)19/h3-6,16H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid?
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid has a molecular weight of 291.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 61405863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).