3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide

C32H31N3O2S — CID 23945227

IUPAC3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C32H31N3O2S/c1-5-23-8-6-7-22(3)31(23)35-30(36)17-18-38-32-28(20-33)27(24-11-9-21(2)10-12-24)19-29(34-32)25-13-15-26(37-4)16-14-25/h6-16,19H,5,17-18H2,1-4H3,(H,35,36)
InChIKeyOXXLXLFXPMVWJR-UHFFFAOYSA-N
MW521.69 g/mol
LogP7.60
Rot. Bonds9

About 3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide

3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 23945227) has the molecular formula C32H31N3O2S and a molecular weight of 521.69 g/mol. Its IUPAC name is 3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID23945227
Molecular FormulaC32H31N3O2S
Molecular Weight521.69 g/mol
Exact Mass521.21
IUPAC Name3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C32H31N3O2S/c1-5-23-8-6-7-22(3)31(23)35-30(36)17-18-38-32-28(20-33)27(24-11-9-21(2)10-12-24)19-29(34-32)25-13-15-26(37-4)16-14-25/h6-16,19H,5,17-18H2,1-4H3,(H,35,36)
InChIKeyOXXLXLFXPMVWJR-UHFFFAOYSA-N
XLogP7.60
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.69
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 23917283
3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 23917262
3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethoxyphenyl)propanamide
CID 23746053
3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 23775235
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 23775179
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23861563
3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 23746064
N-(5-chloro-2,4-dimethoxyphenyl)-3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 23917269
N-(5-chloro-2,4-dimethoxyphenyl)-3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 23775195
3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 23746017
3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23775315
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270290

Frequently Asked Questions

What is the IUPAC name of 3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide (CID 23945227) is 3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(C)cc2)c1C#N.
What is the InChIKey of 3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is OXXLXLFXPMVWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O2S/c1-5-23-8-6-7-22(3)31(23)35-30(36)17-18-38-32-28(20-33)27(24-11-9-21(2)10-12-24)19-29(34-32)25-13-15-26(37-4)16-14-25/h6-16,19H,5,17-18H2,1-4H3,(H,35,36).
What are the key properties of 3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide?
3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 521.69 g/mol, XLogP of 7.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 23945227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).