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

C15H15NO4S — CID 60826737

IUPAC4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
SMILESCCc1sc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1C
InChIInChI=1S/C15H15NO4S/c1-3-12-8(2)6-13(21-12)14(18)16-10-5-4-9(15(19)20)7-11(10)17/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyLWFQKYUUWHNVTM-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.28
Rot. Bonds4

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

4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid (PubChem CID 60826737) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
PubChem CID60826737
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
SMILESCCc1sc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1C
InChIInChI=1S/C15H15NO4S/c1-3-12-8(2)6-13(21-12)14(18)16-10-5-4-9(15(19)20)7-11(10)17/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyLWFQKYUUWHNVTM-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

3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264822
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63190005
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60827236
5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43353089
2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231593
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24670328
N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4820666
methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate
CID 43403969
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid (CID 60826737) is 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid is CCc1sc(C(=O)Nc2ccc(C(=O)O)cc2O)cc1C.
What is the InChIKey of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid?
The InChIKey is LWFQKYUUWHNVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-12-8(2)6-13(21-12)14(18)16-10-5-4-9(15(19)20)7-11(10)17/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid?
4-[(5-ethyl-4-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-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 60826737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).