2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide

C26H25N3OS — CID 3125700

IUPAC2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C26H25N3OS/c27-17-23-22(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)29-26(23)31-18-25(30)28-21-14-8-3-9-15-21/h1-2,4-7,10-13,16,21H,3,8-9,14-15,18H2,(H,28,30)
InChIKeyZYASSPMDJXLOMP-UHFFFAOYSA-N
MW427.57 g/mol
LogP5.83
Rot. Bonds6

About 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide

2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide (PubChem CID 3125700) has the molecular formula C26H25N3OS and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
PubChem CID3125700
Molecular FormulaC26H25N3OS
Molecular Weight427.57 g/mol
Exact Mass427.17
IUPAC Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C26H25N3OS/c27-17-23-22(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)29-26(23)31-18-25(30)28-21-14-8-3-9-15-21/h1-2,4-7,10-13,16,21H,3,8-9,14-15,18H2,(H,28,30)
InChIKeyZYASSPMDJXLOMP-UHFFFAOYSA-N
XLogP5.83
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-cyclohexylacetamide
CID 35177453
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 125117782
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 1405540
3-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclohexylpropanamide
CID 2975462
2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-cyclopentylacetamide
CID 1004504
2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N,N-dicyclohexylacetamide
CID 3128542
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 3104342
N-cyclohexyl-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876870
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 3123147
N-benzyl-2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3901390
2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 3133404
N-(4-chlorophenyl)-2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3165492

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide (CID 3125700) is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide?
The InChIKey is ZYASSPMDJXLOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3OS/c27-17-23-22(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)29-26(23)31-18-25(30)28-21-14-8-3-9-15-21/h1-2,4-7,10-13,16,21H,3,8-9,14-15,18H2,(H,28,30).
What are the key properties of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide?
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide has a molecular weight of 427.57 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 3125700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).