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

C15H15NO4S — CID 43353089

IUPAC5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCc1sc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1C
InChIInChI=1S/C15H15NO4S/c1-3-12-8(2)6-13(21-12)14(18)16-9-4-5-11(17)10(7-9)15(19)20/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKQIFMJFZJJHCCA-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.28
Rot. Bonds4

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

5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 43353089) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID43353089
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCc1sc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1C
InChIInChI=1S/C15H15NO4S/c1-3-12-8(2)6-13(21-12)14(18)16-9-4-5-11(17)10(7-9)15(19)20/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKQIFMJFZJJHCCA-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264822
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 27228669
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826737
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
5-ethyl-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9479381
2-hydroxy-5-[(4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 138042482
2-bromo-5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 115295672
N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55799419
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63190005
5-ethyl-4-methyl-N-[4-(3-methylphenoxy)phenyl]thiophene-2-carboxamide
CID 7925009
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid (CID 43353089) is 5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid is CCc1sc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1C.
What is the InChIKey of 5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is KQIFMJFZJJHCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-12-8(2)6-13(21-12)14(18)16-9-4-5-11(17)10(7-9)15(19)20/h4-7,17H,3H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-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 5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 43353089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).