2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide

C20H17N3OS — CID 865131

IUPAC2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N
InChIInChI=1S/C20H17N3OS/c1-13-6-3-4-9-17(13)22-18(24)12-25-20-16(11-21)10-15-8-5-7-14(2)19(15)23-20/h3-10H,12H2,1-2H3,(H,22,24)
InChIKeyZLJGVWCIEDGYKZ-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.45
Rot. Bonds4

About 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide

2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 865131) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID865131
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N
InChIInChI=1S/C20H17N3OS/c1-13-6-3-4-9-17(13)22-18(24)12-25-20-16(11-21)10-15-8-5-7-14(2)19(15)23-20/h3-10H,12H2,1-2H3,(H,22,24)
InChIKeyZLJGVWCIEDGYKZ-UHFFFAOYSA-N
XLogP4.45
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 3207649
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 1374606
ethyl 4-[[2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1374548
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 43812187
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 3207807
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 1207153
N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 3867369
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1207152
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 46265776
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 3207702
8-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
CID 865136

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide (CID 865131) is 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N.
What is the InChIKey of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is ZLJGVWCIEDGYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13-6-3-4-9-17(13)22-18(24)12-25-20-16(11-21)10-15-8-5-7-14(2)19(15)23-20/h3-10H,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide?
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 865131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).