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

C33H25N3OS — CID 23744241

IUPAC2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide
SMILESCC(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H25N3OS/c1-24(33(37)36(27-18-10-4-11-19-27)28-20-12-5-13-21-28)38-32-30(23-34)29(25-14-6-2-7-15-25)22-31(35-32)26-16-8-3-9-17-26/h2-22,24H,1H3
InChIKeyPAOOWBJXWYSMON-UHFFFAOYSA-N
MW511.65 g/mol
LogP8.13
Rot. Bonds7

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

2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide (PubChem CID 23744241) has the molecular formula C33H25N3OS and a molecular weight of 511.65 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide
PubChem CID23744241
Molecular FormulaC33H25N3OS
Molecular Weight511.65 g/mol
Exact Mass511.17
IUPAC Name2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide
SMILESCC(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H25N3OS/c1-24(33(37)36(27-18-10-4-11-19-27)28-20-12-5-13-21-28)38-32-30(23-34)29(25-14-6-2-7-15-25)22-31(35-32)26-16-8-3-9-17-26/h2-22,24H,1H3
InChIKeyPAOOWBJXWYSMON-UHFFFAOYSA-N
XLogP8.13
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.65
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 3123152
2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylacetamide
CID 3165371
(2R)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]-N-phenylpropanamide
CID 40591536
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)sulfanyl]propanoic acid
CID 5120722
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-phenylpropanamide
CID 3165299
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(3-nitrophenyl)propanamide
CID 3127704
2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 3165382
N-(4-bromophenyl)-2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 3165431
(2R)-2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(4-methyl-3-nitrophenyl)propanamide
CID 40601540
2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(3-nitrophenyl)propanamide
CID 3126912
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270290
(2S)-2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 40582580

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide?
The IUPAC name of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide (CID 23744241) is 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide.
What is the SMILES notation for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide?
The canonical SMILES for 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide is CC(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide?
The InChIKey is PAOOWBJXWYSMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3OS/c1-24(33(37)36(27-18-10-4-11-19-27)28-20-12-5-13-21-28)38-32-30(23-34)29(25-14-6-2-7-15-25)22-31(35-32)26-16-8-3-9-17-26/h2-22,24H,1H3.
What are the key properties of 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide?
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide has a molecular weight of 511.65 g/mol, XLogP of 8.13, 7 rotatable bonds, 0 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,N-diphenylpropanamide is sourced from PubChem (CID 23744241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).