(2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide

C16H20N2OS — CID 8705609

IUPAC(2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide
SMILESC[C@@H](SC1CCCCC1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H20N2OS/c1-12(20-14-8-3-2-4-9-14)16(19)18-15-10-6-5-7-13(15)11-17/h5-7,10,12,14H,2-4,8-9H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyFXSMRSMWGVCNMW-GFCCVEGCSA-N
MW288.42 g/mol
LogP3.95
Rot. Bonds4

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

(2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide (PubChem CID 8705609) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide
PubChem CID8705609
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide
SMILESC[C@@H](SC1CCCCC1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H20N2OS/c1-12(20-14-8-3-2-4-9-14)16(19)18-15-10-6-5-7-13(15)11-17/h5-7,10,12,14H,2-4,8-9H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyFXSMRSMWGVCNMW-GFCCVEGCSA-N
XLogP3.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-cyanophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
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N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
N-(2-cyanophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569136
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
(2S)-N-(2-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 7976632
(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
CID 7395629
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
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CID 16577691

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide (CID 8705609) is (2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide is C[C@@H](SC1CCCCC1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide?
The InChIKey is FXSMRSMWGVCNMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(20-14-8-3-2-4-9-14)16(19)18-15-10-6-5-7-13(15)11-17/h5-7,10,12,14H,2-4,8-9H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide?
(2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide has a molecular weight of 288.42 g/mol, XLogP of 3.95, 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-cyclohexylsulfanylpropanamide is sourced from PubChem (CID 8705609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).