2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

C22H21N3O2S — CID 3207714

IUPAC2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N
InChIInChI=1S/C22H21N3O2S/c1-13-5-8-19(27-4)18(9-13)24-20(26)12-28-22-17(11-23)10-16-7-6-14(2)15(3)21(16)25-22/h5-10H,12H2,1-4H3,(H,24,26)
InChIKeySVNFTFUCCVZKJY-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.77
Rot. Bonds5

About 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 3207714) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID3207714
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N
InChIInChI=1S/C22H21N3O2S/c1-13-5-8-19(27-4)18(9-13)24-20(26)12-28-22-17(11-23)10-16-7-6-14(2)15(3)21(16)25-22/h5-10H,12H2,1-4H3,(H,24,26)
InChIKeySVNFTFUCCVZKJY-UHFFFAOYSA-N
XLogP4.77
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1450405
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 3207702
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
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1207152
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 1450272
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-methoxyphenyl)acetamide
CID 3207784
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3207699
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 3207775
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 1374606

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (CID 3207714) is 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N.
What is the InChIKey of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is SVNFTFUCCVZKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-13-5-8-19(27-4)18(9-13)24-20(26)12-28-22-17(11-23)10-16-7-6-14(2)15(3)21(16)25-22/h5-10H,12H2,1-4H3,(H,24,26).
What are the key properties of 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 391.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 3207714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).