2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide

C21H19N3OS — CID 3207702

IUPAC2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1
InChIInChI=1S/C21H19N3OS/c1-13-5-4-6-18(9-13)23-19(25)12-26-21-17(11-22)10-16-8-7-14(2)15(3)20(16)24-21/h4-10H,12H2,1-3H3,(H,23,25)
InChIKeyLEOPSLTYHHHBOI-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.76
Rot. Bonds4

About 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide

2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 3207702) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID3207702
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1
InChIInChI=1S/C21H19N3OS/c1-13-5-4-6-18(9-13)23-19(25)12-26-21-17(11-22)10-16-8-7-14(2)15(3)20(16)24-21/h4-10H,12H2,1-3H3,(H,23,25)
InChIKeyLEOPSLTYHHHBOI-UHFFFAOYSA-N
XLogP4.76
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.76
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-methoxy-5-methylphenyl)acetamide
CID 3207714
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3207699
N-(3-acetylphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 1450219
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 865131
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 3207775
ethyl 4-[[2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1374548
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 3207649
2-(3-cyano-8-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 43812187
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 1374606
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 3207807
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3207784
N-(3-chloro-4-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1373542

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide (CID 3207702) is 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1.
What is the InChIKey of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is LEOPSLTYHHHBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13-5-4-6-18(9-13)23-19(25)12-26-21-17(11-22)10-16-8-7-14(2)15(3)20(16)24-21/h4-10H,12H2,1-3H3,(H,23,25).
What are the key properties of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide?
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3207702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).