2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile

C22H20N2O2S2 — CID 3380391

IUPAC2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
SMILESCCS(=O)(=O)CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C22H20N2O2S2/c1-2-28(25,26)14-13-27-22-20(16-23)19(17-9-5-3-6-10-17)15-21(24-22)18-11-7-4-8-12-18/h3-12,15H,2,13-14H2,1H3
InChIKeyNIPRYOZJQUDXFI-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.81
Rot. Bonds7

About 2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile

2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 3380391) has the molecular formula C22H20N2O2S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
PubChem CID3380391
Molecular FormulaC22H20N2O2S2
Molecular Weight408.55 g/mol
Exact Mass408.10
IUPAC Name2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
SMILESCCS(=O)(=O)CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C22H20N2O2S2/c1-2-28(25,26)14-13-27-22-20(16-23)19(17-9-5-3-6-10-17)15-21(24-22)18-11-7-4-8-12-18/h3-12,15H,2,13-14H2,1H3
InChIKeyNIPRYOZJQUDXFI-UHFFFAOYSA-N
XLogP4.81
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyanomethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3125152
2-(3-butylsulfonyl-2-hydroxypropyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile
CID 3343649
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270290
2-(2-benzylsulfinylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 3317762
6-(4-bromophenyl)-2-(methylsulfanylmethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3326274
2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 894238
2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
CID 3125938
2-(benzylsulfinylmethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3322471
2-(3-benzylsulfonyl-2-hydroxypropyl)sulfanyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3346994
2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 7008150
N-(2-bromophenyl)-3-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]propanamide
CID 23804214
6-(4-bromophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-phenylpyridine-3-carbonitrile
CID 3613815

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile (CID 3380391) is 2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile is CCS(=O)(=O)CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is NIPRYOZJQUDXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S2/c1-2-28(25,26)14-13-27-22-20(16-23)19(17-9-5-3-6-10-17)15-21(24-22)18-11-7-4-8-12-18/h3-12,15H,2,13-14H2,1H3.
What are the key properties of 2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile?
2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 408.55 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 3380391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).