N-benzyl-2-oxo-2-thiophen-2-ylacetamide

C13H11NO2S — CID 13301283

IUPACN-benzyl-2-oxo-2-thiophen-2-ylacetamide
SMILESO=C(NCc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C13H11NO2S/c15-12(11-7-4-8-17-11)13(16)14-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,16)
InChIKeyXYEBDSCCOWDSJH-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.25
Rot. Bonds4

About N-benzyl-2-oxo-2-thiophen-2-ylacetamide

N-benzyl-2-oxo-2-thiophen-2-ylacetamide (PubChem CID 13301283) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-benzyl-2-oxo-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-2-thiophen-2-ylacetamide
PubChem CID13301283
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC NameN-benzyl-2-oxo-2-thiophen-2-ylacetamide
SMILESO=C(NCc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C13H11NO2S/c15-12(11-7-4-8-17-11)13(16)14-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,16)
InChIKeyXYEBDSCCOWDSJH-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.25
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

N-benzylthiophene-2-carboxamide
CID 574227
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-2-thiophen-2-ylacetamide
CID 10564469
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide
CID 94288947
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
2-phenylethylbenzene;thiophene-2-carboxylic acid
CID 175841387
[2-(benzylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2465528
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N'-benzyloxamide
CID 561416

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-2-thiophen-2-ylacetamide?
The IUPAC name of N-benzyl-2-oxo-2-thiophen-2-ylacetamide (CID 13301283) is N-benzyl-2-oxo-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-oxo-2-thiophen-2-ylacetamide?
The canonical SMILES for N-benzyl-2-oxo-2-thiophen-2-ylacetamide is O=C(NCc1ccccc1)C(=O)c1cccs1.
What is the InChIKey of N-benzyl-2-oxo-2-thiophen-2-ylacetamide?
The InChIKey is XYEBDSCCOWDSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-12(11-7-4-8-17-11)13(16)14-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,16).
What are the key properties of N-benzyl-2-oxo-2-thiophen-2-ylacetamide?
N-benzyl-2-oxo-2-thiophen-2-ylacetamide has a molecular weight of 245.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-2-thiophen-2-ylacetamide is sourced from PubChem (CID 13301283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).