2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide

C22H19N3OS — CID 92870156

IUPAC2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccccc1
InChIInChI=1S/C22H19N3OS/c1-16(17-8-4-2-5-9-17)24-21(26)15-27-22-19(14-23)12-13-20(25-22)18-10-6-3-7-11-18/h2-13,16H,15H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyKJNIDLOGZAUWIJ-INIZCTEOSA-N
MW373.48 g/mol
LogP4.59
Rot. Bonds6

About 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide

2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 92870156) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID92870156
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccccc1
InChIInChI=1S/C22H19N3OS/c1-16(17-8-4-2-5-9-17)24-21(26)15-27-22-19(14-23)12-13-20(25-22)18-10-6-3-7-11-18/h2-13,16H,15H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyKJNIDLOGZAUWIJ-INIZCTEOSA-N
XLogP4.59
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide 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

2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 46265783
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 46265776
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 2793102
N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 42663314
2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile
CID 791804
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2192131
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2192132
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059695
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23889380
6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile
CID 2216887

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide (CID 92870156) is 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccccc1.
What is the InChIKey of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is KJNIDLOGZAUWIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-16(17-8-4-2-5-9-17)24-21(26)15-27-22-19(14-23)12-13-20(25-22)18-10-6-3-7-11-18/h2-13,16H,15H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 92870156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).