2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide

C20H15N3OS — CID 5058447

IUPAC2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
SMILESN#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C20H15N3OS/c21-13-16-11-12-18(15-7-3-1-4-8-15)23-20(16)25-14-19(24)22-17-9-5-2-6-10-17/h1-12H,14H2,(H,22,24)
InChIKeyMGZXDSAUOIHETG-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.35
Rot. Bonds5

About 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide

2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide (PubChem CID 5058447) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
PubChem CID5058447
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
SMILESN#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C20H15N3OS/c21-13-16-11-12-18(15-7-3-1-4-8-15)23-20(16)25-14-19(24)22-17-9-5-2-6-10-17/h1-12H,14H2,(H,22,24)
InChIKeyMGZXDSAUOIHETG-UHFFFAOYSA-N
XLogP4.35
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 46265776
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 46265783
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 92870156
N-(4-chlorophenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanamide
CID 23917223
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide
CID 23833065
ethyl 3-[[2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzoate
CID 44615734
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23833035
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059695
2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
CID 175299587
2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 25049160
2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile
CID 791804

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide (CID 5058447) is 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide is N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The InChIKey is MGZXDSAUOIHETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c21-13-16-11-12-18(15-7-3-1-4-8-15)23-20(16)25-14-19(24)22-17-9-5-2-6-10-17/h1-12H,14H2,(H,22,24).
What are the key properties of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide has a molecular weight of 345.43 g/mol, XLogP of 4.35, 5 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-phenylacetamide is sourced from PubChem (CID 5058447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).