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

C21H17N3OS — CID 46265770

IUPAC2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)c1
InChIInChI=1S/C21H17N3OS/c1-15-6-5-9-18(12-15)23-20(25)14-26-21-17(13-22)10-11-19(24-21)16-7-3-2-4-8-16/h2-12H,14H2,1H3,(H,23,25)
InChIKeyZUQCRGDIZKYAKZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.66
Rot. Bonds5

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

2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 46265770) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID46265770
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)c1
InChIInChI=1S/C21H17N3OS/c1-15-6-5-9-18(12-15)23-20(25)14-26-21-17(13-22)10-11-19(24-21)16-7-3-2-4-8-16/h2-12H,14H2,1H3,(H,23,25)
InChIKeyZUQCRGDIZKYAKZ-UHFFFAOYSA-N
XLogP4.66
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide (CID 46265770) is 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)c1.
What is the InChIKey of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is ZUQCRGDIZKYAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-15-6-5-9-18(12-15)23-20(25)14-26-21-17(13-22)10-11-19(24-21)16-7-3-2-4-8-16/h2-12H,14H2,1H3,(H,23,25).
What are the key properties of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide?
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 4.66, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 46265770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).