5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide

C14H13NO4S — CID 131938402

IUPAC5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C(C)=O)s2)ccc1O
InChIInChI=1S/C14H13NO4S/c1-8(16)12-5-6-13(20-12)14(18)15-9-3-4-10(17)11(7-9)19-2/h3-7,17H,1-2H3,(H,15,18)
InChIKeyHUWKBLCCSGHRHE-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.92
Rot. Bonds4

About 5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide

5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 131938402) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
PubChem CID131938402
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C(C)=O)s2)ccc1O
InChIInChI=1S/C14H13NO4S/c1-8(16)12-5-6-13(20-12)14(18)15-9-3-4-10(17)11(7-9)19-2/h3-7,17H,1-2H3,(H,15,18)
InChIKeyHUWKBLCCSGHRHE-UHFFFAOYSA-N
XLogP2.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-N-(4-methoxy-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 9088476
5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 9088020
5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 107622764
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
CID 18089390
5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9083677
5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 18089373
(4-hydroxy-3-methoxyphenyl)thiourea
CID 57183601
N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
CID 33307814
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide (CID 131938402) is 5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide is COc1cc(NC(=O)c2ccc(C(C)=O)s2)ccc1O.
What is the InChIKey of 5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is HUWKBLCCSGHRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-8(16)12-5-6-13(20-12)14(18)15-9-3-4-10(17)11(7-9)19-2/h3-7,17H,1-2H3,(H,15,18).
What are the key properties of 5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide?
5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 131938402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).