5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid

C15H15NO4S — CID 63616191

IUPAC5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2ccc(C)cc2O)s1
InChIInChI=1S/C15H15NO4S/c1-3-9-7-11(15(19)20)14(21-9)16-13(18)10-5-4-8(2)6-12(10)17/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyGPDVKKFQSXSYQQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.28
Rot. Bonds4

About 5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid

5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 63616191) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID63616191
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2ccc(C)cc2O)s1
InChIInChI=1S/C15H15NO4S/c1-3-9-7-11(15(19)20)14(21-9)16-13(18)10-5-4-8(2)6-12(10)17/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyGPDVKKFQSXSYQQ-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

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Related Compounds

5-ethyl-2-[(2-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616184
5-ethyl-2-[(3-hydroxy-2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82810194
2-[(5-chloro-2-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63616192
2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63616464
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 106500285
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 876996
5-ethyl-2-[(3-methylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63616189
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
5-ethyl-2-(thiophene-3-carbonylamino)thiophene-3-carboxylic acid
CID 63616182
5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615147
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615501

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid (CID 63616191) is 5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)c2ccc(C)cc2O)s1.
What is the InChIKey of 5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is GPDVKKFQSXSYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-9-7-11(15(19)20)14(21-9)16-13(18)10-5-4-8(2)6-12(10)17/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic 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 5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63616191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).