4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid

C15H15NO4S — CID 60827236

IUPAC4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
SMILESCCc1cc(C(=O)Nc2ccc(C(=O)O)cc2O)sc1C
InChIInChI=1S/C15H15NO4S/c1-3-9-7-13(21-8(9)2)14(18)16-11-5-4-10(15(19)20)6-12(11)17/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyRFJWNHVEBSMPQH-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.28
Rot. Bonds4

About 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid

4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid (PubChem CID 60827236) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
PubChem CID60827236
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
SMILESCCc1cc(C(=O)Nc2ccc(C(=O)O)cc2O)sc1C
InChIInChI=1S/C15H15NO4S/c1-3-9-7-13(21-8(9)2)14(18)16-11-5-4-10(15(19)20)6-12(11)17/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyRFJWNHVEBSMPQH-UHFFFAOYSA-N
XLogP3.28
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826737
4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid
CID 107812502
N-(2-hydroxy-4-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9370107
3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264822
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880510
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63190005
N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 86857903
5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356570
4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195
4-ethyl-5-methyl-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 26085892

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid (CID 60827236) is 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid is CCc1cc(C(=O)Nc2ccc(C(=O)O)cc2O)sc1C.
What is the InChIKey of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid?
The InChIKey is RFJWNHVEBSMPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-9-7-13(21-8(9)2)14(18)16-11-5-4-10(15(19)20)6-12(11)17/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid?
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid has a molecular weight of 305.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 60827236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).