2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide

C17H17N3OS — CID 689229

IUPAC2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
SMILESCCc1nc(SCC(=O)Nc2ccccc2)c(C#N)cc1C
InChIInChI=1S/C17H17N3OS/c1-3-15-12(2)9-13(10-18)17(20-15)22-11-16(21)19-14-7-5-4-6-8-14/h4-9H,3,11H2,1-2H3,(H,19,21)
InChIKeyVWAIJRXKIDFORW-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.55
Rot. Bonds5

About 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide

2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide (PubChem CID 689229) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
PubChem CID689229
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
SMILESCCc1nc(SCC(=O)Nc2ccccc2)c(C#N)cc1C
InChIInChI=1S/C17H17N3OS/c1-3-15-12(2)9-13(10-18)17(20-15)22-11-16(21)19-14-7-5-4-6-8-14/h4-9H,3,11H2,1-2H3,(H,19,21)
InChIKeyVWAIJRXKIDFORW-UHFFFAOYSA-N
XLogP3.55
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide 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-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 689230
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447
2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
CID 175299587
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 3207649
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 911685
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 3207775
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1450256
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoic acid
CID 2393766
2-[4-[[2-[[3-cyano-5-methyl-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]acetyl]amino]phenyl]quinoline-4-carboxylic acid
CID 21169240
ethyl 2-[[2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1005138
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 3207702

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide (CID 689229) is 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide is CCc1nc(SCC(=O)Nc2ccccc2)c(C#N)cc1C.
What is the InChIKey of 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The InChIKey is VWAIJRXKIDFORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-15-12(2)9-13(10-18)17(20-15)22-11-16(21)19-14-7-5-4-6-8-14/h4-9H,3,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide?
2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide has a molecular weight of 311.41 g/mol, XLogP of 3.55, 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-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 689229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).