N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide

C15H15NO3S — CID 2688116

IUPACN-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2cccs2)c(O)c1
InChIInChI=1S/C15H15NO3S/c1-10-4-5-11(13(18)9-10)16-15(19)7-6-12(17)14-3-2-8-20-14/h2-5,8-9,18H,6-7H2,1H3,(H,16,19)
InChIKeyUWHOXHHZRCHVSO-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.36
Rot. Bonds5

About N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 2688116) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID2688116
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2cccs2)c(O)c1
InChIInChI=1S/C15H15NO3S/c1-10-4-5-11(13(18)9-10)16-15(19)7-6-12(17)14-3-2-8-20-14/h2-5,8-9,18H,6-7H2,1H3,(H,16,19)
InChIKeyUWHOXHHZRCHVSO-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 821304
N-{4-[(4-hydroxyphenyl)carbamoyl]phenyl}thiophene-2-carboxamide
CID 880338
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9495522
(E)-N-(4-(3-(3,4-Dihydroxyphenyl)acryloyl)phenyl)-2-(thiophen-2-yl)acetamide
CID 53322967
N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide
CID 122652912
N-[4-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]acetamide
CID 122652956
5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 17392362
Thiophene-2-carboxylic acid (4-hydroxy-biphenyl-3-yl)-amide
CID 44447120
N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 53319502
N-(2-Hydroxy-5-methylphenyl)-2-thiophenecarboxamide
CID 1073867
N-(2-Hydroxyphenyl)-2-thiophenecarboxamide
CID 772142
1-(2,5-Dimethylthiophen-3-yl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 25162737

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 2688116) is N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide is Cc1ccc(NC(=O)CCC(=O)c2cccs2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is UWHOXHHZRCHVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-4-5-11(13(18)9-10)16-15(19)7-6-12(17)14-3-2-8-20-14/h2-5,8-9,18H,6-7H2,1H3,(H,16,19).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 289.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2688116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).