2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide

C15H14N2OS — CID 55129156

IUPAC2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)C(C#N)c1ccccc1)c1cccs1
InChIInChI=1S/C15H14N2OS/c1-11(14-8-5-9-19-14)17-15(18)13(10-16)12-6-3-2-4-7-12/h2-9,11,13H,1H3,(H,17,18)
InChIKeyHGMVZWRFKBAPLW-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.23
Rot. Bonds4

About 2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide

2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 55129156) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID55129156
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)C(C#N)c1ccccc1)c1cccs1
InChIInChI=1S/C15H14N2OS/c1-11(14-8-5-9-19-14)17-15(18)13(10-16)12-6-3-2-4-7-12/h2-9,11,13H,1H3,(H,17,18)
InChIKeyHGMVZWRFKBAPLW-UHFFFAOYSA-N
XLogP3.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-2-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106213471
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
2-cyano-2-methyl-N-(1-thiophen-2-ylethyl)propanamide
CID 60778927
(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408213
(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126211490
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
phenyl N-(1-thiophen-2-ylethyl)carbamate
CID 60629917
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide
CID 18126793

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide (CID 55129156) is 2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)C(C#N)c1ccccc1)c1cccs1.
What is the InChIKey of 2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is HGMVZWRFKBAPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11(14-8-5-9-19-14)17-15(18)13(10-16)12-6-3-2-4-7-12/h2-9,11,13H,1H3,(H,17,18).
What are the key properties of 2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide?
2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 270.36 g/mol, XLogP of 3.23, 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-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 55129156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).