N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide

C13H11NO2S — CID 82118278

IUPACN-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c1-14(10-6-3-2-4-7-10)13(16)12(15)11-8-5-9-17-11/h2-9H,1H3
InChIKeyFROSXIMUVUVVEE-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.59
Rot. Bonds3

About N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide

N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide (PubChem CID 82118278) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide
PubChem CID82118278
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC NameN-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide
SMILESCN(C(=O)C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c1-14(10-6-3-2-4-7-10)13(16)12(15)11-8-5-9-17-11/h2-9H,1H3
InChIKeyFROSXIMUVUVVEE-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
CID 94102437
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
2-(4-chlorophenyl)-N-methyl-2-oxo-N-phenylacetamide
CID 13109495
2,3-dimethyl-1-thiophen-2-ylbut-2-en-1-one
CID 131801030
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
CID 11204853
CID 11204853
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8819527
N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide (CID 82118278) is N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide is CN(C(=O)C(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide?
The InChIKey is FROSXIMUVUVVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-14(10-6-3-2-4-7-10)13(16)12(15)11-8-5-9-17-11/h2-9H,1H3.
What are the key properties of N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide?
N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide has a molecular weight of 245.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 82118278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).