2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide

C24H23N3OS — CID 4134464

IUPAC2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)c(C)c1
InChIInChI=1S/C24H23N3OS/c1-17-8-10-21(18(2)14-17)22-11-9-20(15-25)24(27-22)29-16-23(28)26-13-12-19-6-4-3-5-7-19/h3-11,14H,12-13,16H2,1-2H3,(H,26,28)
InChIKeyZMJRBAXTJSQTIM-UHFFFAOYSA-N
MW401.54 g/mol
LogP4.69
Rot. Bonds7

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

2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 4134464) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID4134464
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)c(C)c1
InChIInChI=1S/C24H23N3OS/c1-17-8-10-21(18(2)14-17)22-11-9-20(15-25)24(27-22)29-16-23(28)26-13-12-19-6-4-3-5-7-19/h3-11,14H,12-13,16H2,1-2H3,(H,26,28)
InChIKeyZMJRBAXTJSQTIM-UHFFFAOYSA-N
XLogP4.69
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3207699
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 3104342
N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176184
2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 8699651
4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 23609750
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 46265776
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3207633
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3207488
2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 22768951
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8699519
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 46265783

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide (CID 4134464) is 2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide is Cc1ccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is ZMJRBAXTJSQTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-17-8-10-21(18(2)14-17)22-11-9-20(15-25)24(27-22)29-16-23(28)26-13-12-19-6-4-3-5-7-19/h3-11,14H,12-13,16H2,1-2H3,(H,26,28).
What are the key properties of 2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide?
2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 401.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(2,4-dimethylphenyl)-2-pyridinyl]sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4134464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).