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

C18H19N3OS — CID 798324

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C18H19N3OS/c1-4-14-5-7-15(8-6-14)21-17(22)11-23-18-16(10-19)12(2)9-13(3)20-18/h5-9H,4,11H2,1-3H3,(H,21,22)
InChIKeyQRCSLMLTJMAMLT-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.86
Rot. Bonds5

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

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide (PubChem CID 798324) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide
PubChem CID798324
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C18H19N3OS/c1-4-14-5-7-15(8-6-14)21-17(22)11-23-18-16(10-19)12(2)9-13(3)20-18/h5-9H,4,11H2,1-3H3,(H,21,22)
InChIKeyQRCSLMLTJMAMLT-UHFFFAOYSA-N
XLogP3.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
2-((3-Cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-phenylacetamide
CID 3288231
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
ST4014630
CID 684061
N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 657970
2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 704426
2-(4-Cyano-1-p-tolyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)-acetamide
CID 929998
N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-ethylacetamide
CID 5223232
2-(Benzylsulfanyl)-4,6-dimethylnicotinonitrile
CID 698489
2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
CID 1731287
2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile
CID 2726035
2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide (CID 798324) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide?
The InChIKey is QRCSLMLTJMAMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-4-14-5-7-15(8-6-14)21-17(22)11-23-18-16(10-19)12(2)9-13(3)20-18/h5-9H,4,11H2,1-3H3,(H,21,22).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-ethylphenyl)acetamide has a molecular weight of 325.44 g/mol, XLogP of 3.86, 5 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 798324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).