2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide

C20H24N2O3S — CID 20933603

IUPAC2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1C
InChIInChI=1S/C20H24N2O3S/c1-12-10-13(2)15(4)20(14(12)3)26(24,25)21-17-7-8-18-16(11-17)6-9-19(23)22(18)5/h7-8,10-11,21H,6,9H2,1-5H3
InChIKeyGSTPWBOUQXPDAB-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.63
Rot. Bonds3

About 2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide (PubChem CID 20933603) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
PubChem CID20933603
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1C
InChIInChI=1S/C20H24N2O3S/c1-12-10-13(2)15(4)20(14(12)3)26(24,25)21-17-7-8-18-16(11-17)6-9-19(23)22(18)5/h7-8,10-11,21H,6,9H2,1-5H3
InChIKeyGSTPWBOUQXPDAB-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16820558
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 42388555
2-methoxy-5-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16826959
N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383269
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 40889564
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanesulfonamide
CID 40889552
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27368931
1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide
CID 110383213
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219
2,4,5-trimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927637
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide (CID 20933603) is 2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The InChIKey is GSTPWBOUQXPDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12-10-13(2)15(4)20(14(12)3)26(24,25)21-17-7-8-18-16(11-17)6-9-19(23)22(18)5/h7-8,10-11,21H,6,9H2,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 20933603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).