2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C20H22N2O3S — CID 110324455

IUPAC2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cc3cccc(C)c3[nH]c2=O)c(C)c1
InChIInChI=1S/C20H22N2O3S/c1-12-8-14(3)19(15(4)9-12)26(24,25)21-11-17-10-16-7-5-6-13(2)18(16)22-20(17)23/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyTXFIUANRSGHCIG-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.24
Rot. Bonds4

About 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 110324455) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID110324455
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cc3cccc(C)c3[nH]c2=O)c(C)c1
InChIInChI=1S/C20H22N2O3S/c1-12-8-14(3)19(15(4)9-12)26(24,25)21-11-17-10-16-7-5-6-13(2)18(16)22-20(17)23/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyTXFIUANRSGHCIG-UHFFFAOYSA-N
XLogP3.24
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
2,4-dimethoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324463
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
CID 110324486
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110324489
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
N-(3-hydroxypropyl)-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3186013
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 4054510
5-chloro-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-sulfonamide
CID 110325345
N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1373629

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 110324455) is 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2cc3cccc(C)c3[nH]c2=O)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is TXFIUANRSGHCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-12-8-14(3)19(15(4)9-12)26(24,25)21-11-17-10-16-7-5-6-13(2)18(16)22-20(17)23/h5-10,21H,11H2,1-4H3,(H,22,23).
What are the key properties of 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110324455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).