2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide

C24H29N3O3S2 — CID 46367273

IUPAC2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(SCC(=O)Nc3c(C)cccc3C)cc(C)c2c1
InChIInChI=1S/C24H29N3O3S2/c1-6-27(7-2)32(29,30)19-11-12-21-20(14-19)18(5)13-23(25-21)31-15-22(28)26-24-16(3)9-8-10-17(24)4/h8-14H,6-7,15H2,1-5H3,(H,26,28)
InChIKeyZUVNEKQKRWWPQT-UHFFFAOYSA-N
MW471.65 g/mol
LogP4.92
Rot. Bonds8

About 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide

2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide (PubChem CID 46367273) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
PubChem CID46367273
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC Name2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(SCC(=O)Nc3c(C)cccc3C)cc(C)c2c1
InChIInChI=1S/C24H29N3O3S2/c1-6-27(7-2)32(29,30)19-11-12-21-20(14-19)18(5)13-23(25-21)31-15-22(28)26-24-16(3)9-8-10-17(24)4/h8-14H,6-7,15H2,1-5H3,(H,26,28)
InChIKeyZUVNEKQKRWWPQT-UHFFFAOYSA-N
XLogP4.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
CID 51345581
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367214
N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367192
N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367156
2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanyl-N-phenylacetamide
CID 46367228
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 46367251
N-(4-ethoxyphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367129
N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367204
N-(3-chloro-4-methylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 20930357

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide (CID 46367273) is 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2nc(SCC(=O)Nc3c(C)cccc3C)cc(C)c2c1.
What is the InChIKey of 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is ZUVNEKQKRWWPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-6-27(7-2)32(29,30)19-11-12-21-20(14-19)18(5)13-23(25-21)31-15-22(28)26-24-16(3)9-8-10-17(24)4/h8-14H,6-7,15H2,1-5H3,(H,26,28).
What are the key properties of 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide?
2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 471.65 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 46367273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).