2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide

C32H21Cl2N3OS — CID 3131676

IUPAC2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESN#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C32H21Cl2N3OS/c33-23-16-14-22(15-17-23)30-18-26(25-11-4-6-12-28(25)34)27(19-35)32(37-30)39-20-31(38)36-29-13-7-5-10-24(29)21-8-2-1-3-9-21/h1-18H,20H2,(H,36,38)
InChIKeySQYVEEDXVMGLOC-UHFFFAOYSA-N
MW566.51 g/mol
LogP8.99
Rot. Bonds7

About 2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide

2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 3131676) has the molecular formula C32H21Cl2N3OS and a molecular weight of 566.51 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide
PubChem CID3131676
Molecular FormulaC32H21Cl2N3OS
Molecular Weight566.51 g/mol
Exact Mass565.08
IUPAC Name2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESN#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C32H21Cl2N3OS/c33-23-16-14-22(15-17-23)30-18-26(25-11-4-6-12-28(25)34)27(19-35)32(37-30)39-20-31(38)36-29-13-7-5-10-24(29)21-8-2-1-3-9-21/h1-18H,20H2,(H,36,38)
InChIKeySQYVEEDXVMGLOC-UHFFFAOYSA-N
XLogP8.99
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.51
LogP ≤ 58.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3165643
N-(4-chlorophenyl)-2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3165492
2-[[4-(2-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 3128767
N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3128693
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 3123147
methyl 2-[[2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzoate
CID 3133433
2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3128543
2-[[4-(4-tert-butylphenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 3165685
2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 3125459
3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 23746017
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3122398
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 1405540

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide (CID 3131676) is 2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide is N#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide?
The InChIKey is SQYVEEDXVMGLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Cl2N3OS/c33-23-16-14-22(15-17-23)30-18-26(25-11-4-6-12-28(25)34)27(19-35)32(37-30)39-20-31(38)36-29-13-7-5-10-24(29)21-8-2-1-3-9-21/h1-18H,20H2,(H,36,38).
What are the key properties of 2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide?
2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 566.51 g/mol, XLogP of 8.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 3131676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).