N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide

C13H8N2O2S — CID 82120465

IUPACN-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide
SMILESN#Cc1ccc(NC(=O)C(=O)c2cccs2)cc1
InChIInChI=1S/C13H8N2O2S/c14-8-9-3-5-10(6-4-9)15-13(17)12(16)11-2-1-7-18-11/h1-7H,(H,15,17)
InChIKeyYTZFWMWGKLFMNI-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.44
Rot. Bonds3

About N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide

N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide (PubChem CID 82120465) has the molecular formula C13H8N2O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide
PubChem CID82120465
Molecular FormulaC13H8N2O2S
Molecular Weight256.29 g/mol
Exact Mass256.03
IUPAC NameN-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide
SMILESN#Cc1ccc(NC(=O)C(=O)c2cccs2)cc1
InChIInChI=1S/C13H8N2O2S/c14-8-9-3-5-10(6-4-9)15-13(17)12(16)11-2-1-7-18-11/h1-7H,(H,15,17)
InChIKeyYTZFWMWGKLFMNI-UHFFFAOYSA-N
XLogP2.44
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
CID 108519483
N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515476
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-2-thiophen-2-ylacetamide
CID 94297417
N-(4-cyanophenyl)prop-2-ynamide
CID 131045774
N-(4-cyanophenyl)-2-thiophen-2-ylsulfonylpropanamide
CID 64690575
N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
CID 574246
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide (CID 82120465) is N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide is N#Cc1ccc(NC(=O)C(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide?
The InChIKey is YTZFWMWGKLFMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S/c14-8-9-3-5-10(6-4-9)15-13(17)12(16)11-2-1-7-18-11/h1-7H,(H,15,17).
What are the key properties of N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide?
N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide has a molecular weight of 256.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-oxo-2-thiophen-2-ylacetamide is sourced from PubChem (CID 82120465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).