2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide

C14H13NO2S — CID 82121215

IUPAC2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H13NO2S/c1-10(11-6-3-2-4-7-11)15-14(17)13(16)12-8-5-9-18-12/h2-10H,1H3,(H,15,17)
InChIKeyZPHJCFIZRQCUGW-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.81
Rot. Bonds4

About 2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide

2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide (PubChem CID 82121215) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide
PubChem CID82121215
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H13NO2S/c1-10(11-6-3-2-4-7-11)15-14(17)13(16)12-8-5-9-18-12/h2-10H,1H3,(H,15,17)
InChIKeyZPHJCFIZRQCUGW-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone
CID 2385109
2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
CID 47121155
N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 4122342
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8556804
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699
N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4935194
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-benzyl-2-oxo-2-thiophen-2-ylacetamide
CID 13301283
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-2-carboxamide
CID 8500551
N-[(3Z)-3-[1-cyano-2-oxo-2-(1-phenylethylamino)ethylidene]isoindol-1-yl]thiophene-2-carboxamide
CID 6224691

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide (CID 82121215) is 2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide is CC(NC(=O)C(=O)c1cccs1)c1ccccc1.
What is the InChIKey of 2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZPHJCFIZRQCUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-10(11-6-3-2-4-7-11)15-14(17)13(16)12-8-5-9-18-12/h2-10H,1H3,(H,15,17).
What are the key properties of 2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide?
2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 259.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 82121215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).