2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C22H24N4O4S2 — CID 4685221

IUPAC2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C22H24N4O4S2/c1-22(2)10-18-17(19(27)11-22)8-14(12-23)21(25-18)31-13-20(28)24-15-6-5-7-16(9-15)32(29,30)26(3)4/h5-9H,10-11,13H2,1-4H3,(H,24,28)
InChIKeyUCDJKFZKUWJFOG-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.09
Rot. Bonds6

About 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4685221) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4685221
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC Name2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C22H24N4O4S2/c1-22(2)10-18-17(19(27)11-22)8-14(12-23)21(25-18)31-13-20(28)24-15-6-5-7-16(9-15)32(29,30)26(3)4/h5-9H,10-11,13H2,1-4H3,(H,24,28)
InChIKeyUCDJKFZKUWJFOG-UHFFFAOYSA-N
XLogP3.09
TPSA120.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide with MolForge

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Related Compounds

2-(Benzylsulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 720466
3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 983945
3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 2241259
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
CID 3253625
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetamide
CID 3582709
2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4080952
2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 4432356
2-((3-Cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl)acetamide
CID 983955
2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 983951
2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 1605018
3-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 2243000
2-[(3-Cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-YL)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 23614207

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 4685221) is 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1.
What is the InChIKey of 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is UCDJKFZKUWJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-22(2)10-18-17(19(27)11-22)8-14(12-23)21(25-18)31-13-20(28)24-15-6-5-7-16(9-15)32(29,30)26(3)4/h5-9H,10-11,13H2,1-4H3,(H,24,28).
What are the key properties of 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 472.59 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4685221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).