2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide

C14H12N2OS — CID 2949933

IUPAC2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESN#CC(C(=O)NCc1cccs1)c1ccccc1
InChIInChI=1S/C14H12N2OS/c15-9-13(11-5-2-1-3-6-11)14(17)16-10-12-7-4-8-18-12/h1-8,13H,10H2,(H,16,17)
InChIKeyFISVQUBFFBQHRO-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.67
Rot. Bonds4

About 2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide

2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2949933) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2949933
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESN#CC(C(=O)NCc1cccs1)c1ccccc1
InChIInChI=1S/C14H12N2OS/c15-9-13(11-5-2-1-3-6-11)14(17)16-10-12-7-4-8-18-12/h1-8,13H,10H2,(H,16,17)
InChIKeyFISVQUBFFBQHRO-UHFFFAOYSA-N
XLogP2.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
CID 5289378
(S)-2-amino-N-((S)-1-cyano-2-(5-phenylthiophen-2-yl)ethyl)-3-(thiophen-2-yl)propanamide
CID 46883464
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
N-[2-(4-fluorophenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 808451
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 2813034
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide (CID 2949933) is 2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide is N#CC(C(=O)NCc1cccs1)c1ccccc1.
What is the InChIKey of 2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FISVQUBFFBQHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-9-13(11-5-2-1-3-6-11)14(17)16-10-12-7-4-8-18-12/h1-8,13H,10H2,(H,16,17).
What are the key properties of 2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide?
2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 256.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-phenyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2949933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).