(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide

C16H14N2OS — CID 2501567

IUPAC(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H14N2OS/c1-12(20-14-8-3-2-4-9-14)16(19)18-15-10-6-5-7-13(15)11-17/h2-10,12H,1H3,(H,18,19)/t12-/m1/s1
InChIKeyOQYHGQZABAQUQI-GFCCVEGCSA-N
MW282.37 g/mol
LogP3.68
Rot. Bonds4

About (2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide

(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide (PubChem CID 2501567) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide
PubChem CID2501567
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H14N2OS/c1-12(20-14-8-3-2-4-9-14)16(19)18-15-10-6-5-7-13(15)11-17/h2-10,12H,1H3,(H,18,19)/t12-/m1/s1
InChIKeyOQYHGQZABAQUQI-GFCCVEGCSA-N
XLogP3.68
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)sulfanyl-N-(2-cyanophenyl)propanamide
CID 62803899
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
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N-(2-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434437
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821236
(2S)-N-(2-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 7976632
N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821073
(2S)-N-(2-cyanophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8570428
(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(2-cyanophenyl)propanamide
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N-phenyl-2-phenylsulfanylpropanamide
CID 2889315

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide (CID 2501567) is (2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide is C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide?
The InChIKey is OQYHGQZABAQUQI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-12(20-14-8-3-2-4-9-14)16(19)18-15-10-6-5-7-13(15)11-17/h2-10,12H,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide?
(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide has a molecular weight of 282.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2501567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).