2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide

C16H16N2OS — CID 62843528

IUPAC2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
SMILESCC(NC(=O)C(C#N)Cc1ccccc1)c1ccsc1
InChIInChI=1S/C16H16N2OS/c1-12(14-7-8-20-11-14)18-16(19)15(10-17)9-13-5-3-2-4-6-13/h2-8,11-12,15H,9H2,1H3,(H,18,19)
InChIKeyTYIRZFYTMDXINM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.31
Rot. Bonds5

About 2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide

2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide (PubChem CID 62843528) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
PubChem CID62843528
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
SMILESCC(NC(=O)C(C#N)Cc1ccccc1)c1ccsc1
InChIInChI=1S/C16H16N2OS/c1-12(14-7-8-20-11-14)18-16(19)15(10-17)9-13-5-3-2-4-6-13/h2-8,11-12,15H,9H2,1H3,(H,18,19)
InChIKeyTYIRZFYTMDXINM-UHFFFAOYSA-N
XLogP3.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 80552244
(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
CID 94010231
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
CID 3756499
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
3-(4-chlorophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82119393
2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
CID 82115695
(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
CID 107569617
N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 64590791
2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide
CID 107861085

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide?
The IUPAC name of 2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide (CID 62843528) is 2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide is CC(NC(=O)C(C#N)Cc1ccccc1)c1ccsc1.
What is the InChIKey of 2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide?
The InChIKey is TYIRZFYTMDXINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-12(14-7-8-20-11-14)18-16(19)15(10-17)9-13-5-3-2-4-6-13/h2-8,11-12,15H,9H2,1H3,(H,18,19).
What are the key properties of 2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide?
2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide has a molecular weight of 284.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 62843528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).