2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile

C23H16N2S2 — CID 3334393

IUPAC2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCc1ccccc1
InChIInChI=1S/C23H16N2S2/c24-15-20-19(18-10-5-2-6-11-18)14-21(22-12-7-13-26-22)25-23(20)27-16-17-8-3-1-4-9-17/h1-14H,16H2
InChIKeyQVRKXBUZZQCWPS-UHFFFAOYSA-N
MW384.53 g/mol
LogP6.64
Rot. Bonds5

About 2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile

2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 3334393) has the molecular formula C23H16N2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID3334393
Molecular FormulaC23H16N2S2
Molecular Weight384.53 g/mol
Exact Mass384.08
IUPAC Name2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCc1ccccc1
InChIInChI=1S/C23H16N2S2/c24-15-20-19(18-10-5-2-6-11-18)14-21(22-12-7-13-26-22)25-23(20)27-16-17-8-3-1-4-9-17/h1-14H,16H2
InChIKeyQVRKXBUZZQCWPS-UHFFFAOYSA-N
XLogP6.64
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 4022523
2-benzylsulfanyl-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile
CID 3125938
CID 145153614
CID 145153614
2-[(4-chlorophenyl)methylsulfinylmethylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3336349
4-(4-tert-butylphenyl)-6-thiophen-2-yl-2-(thiophen-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 3820214
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 1284159
2-[[4-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanylmethyl]phenyl]methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3165607
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
CID 5120722
2-[2-(4-tert-butylphenyl)sulfinylethylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3336358
2-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 1253037
2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 681158
2-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3355899

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile (CID 3334393) is 2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is QVRKXBUZZQCWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2S2/c24-15-20-19(18-10-5-2-6-11-18)14-21(22-12-7-13-26-22)25-23(20)27-16-17-8-3-1-4-9-17/h1-14H,16H2.
What are the key properties of 2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile?
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 384.53 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 3334393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).