N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide

C20H22N2O3S — CID 110325811

IUPACN-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C20H22N2O3S/c1-14-6-3-4-8-18(14)13-26(24,25)21-11-10-17-12-16-9-5-7-15(2)19(16)22-20(17)23/h3-9,12,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyCHJJHSBSBUJEBC-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide

N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110325811) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110325811
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C20H22N2O3S/c1-14-6-3-4-8-18(14)13-26(24,25)21-11-10-17-12-16-9-5-7-15(2)19(16)22-20(17)23/h3-9,12,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyCHJJHSBSBUJEBC-UHFFFAOYSA-N
XLogP2.81
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110325820
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
CID 110324486
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326328
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
1-(2-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791248
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324455
1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
CID 110325870
3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 18525037
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 110325811) is N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCCc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is CHJJHSBSBUJEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-6-3-4-8-18(14)13-26(24,25)21-11-10-17-12-16-9-5-7-15(2)19(16)22-20(17)23/h3-9,12,21H,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110325811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).