2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide

C17H17N3OS — CID 555289

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C17H17N3OS/c1-11-6-4-5-7-15(11)20-16(21)10-22-17-14(9-18)12(2)8-13(3)19-17/h4-8H,10H2,1-3H3,(H,20,21)
InChIKeyYCBGYVGPUNBKET-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.61
Rot. Bonds4

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 555289) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID555289
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C17H17N3OS/c1-11-6-4-5-7-15(11)20-16(21)10-22-17-14(9-18)12(2)8-13(3)19-17/h4-8H,10H2,1-3H3,(H,20,21)
InChIKeyYCBGYVGPUNBKET-UHFFFAOYSA-N
XLogP3.61
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide (CID 555289) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide is Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is YCBGYVGPUNBKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-11-6-4-5-7-15(11)20-16(21)10-22-17-14(9-18)12(2)8-13(3)19-17/h4-8H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 555289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).