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

C28H23N3OS — CID 3104342

IUPAC2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C28H23N3OS/c29-19-25-24(22-12-6-2-7-13-22)18-26(23-14-8-3-9-15-23)31-28(25)33-20-27(32)30-17-16-21-10-4-1-5-11-21/h1-15,18H,16-17,20H2,(H,30,32)
InChIKeyPHJNNKLPRMLXJA-UHFFFAOYSA-N
MW449.58 g/mol
LogP5.74
Rot. Bonds8

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

2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 3104342) has the molecular formula C28H23N3OS and a molecular weight of 449.58 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID3104342
Molecular FormulaC28H23N3OS
Molecular Weight449.58 g/mol
Exact Mass449.16
IUPAC Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C28H23N3OS/c29-19-25-24(22-12-6-2-7-13-22)18-26(23-14-8-3-9-15-23)31-28(25)33-20-27(32)30-17-16-21-10-4-1-5-11-21/h1-15,18H,16-17,20H2,(H,30,32)
InChIKeyPHJNNKLPRMLXJA-UHFFFAOYSA-N
XLogP5.74
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3901390
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 1405540
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 3123147
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 3125700
N-(4-chlorophenyl)-2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3165492
2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 3133404
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 2793102
2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 4134464
N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3128693
2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3127725
2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 3127787
2-(2-benzylsulfinylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 3317762

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide (CID 3104342) is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is PHJNNKLPRMLXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3OS/c29-19-25-24(22-12-6-2-7-13-22)18-26(23-14-8-3-9-15-23)31-28(25)33-20-27(32)30-17-16-21-10-4-1-5-11-21/h1-15,18H,16-17,20H2,(H,30,32).
What are the key properties of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide?
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 449.58 g/mol, XLogP of 5.74, 8 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 3104342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).