N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide

C19H20N2O3S — CID 110324486

IUPACN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
SMILESCc1cccc2cc(CNS(=O)(=O)CCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C19H20N2O3S/c1-14-6-5-9-16-12-17(19(22)21-18(14)16)13-20-25(23,24)11-10-15-7-3-2-4-8-15/h2-9,12,20H,10-11,13H2,1H3,(H,21,22)
InChIKeyBBDWQKTYFRGMDP-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.50
Rot. Bonds6

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

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide (PubChem CID 110324486) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
PubChem CID110324486
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
SMILESCc1cccc2cc(CNS(=O)(=O)CCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C19H20N2O3S/c1-14-6-5-9-16-12-17(19(22)21-18(14)16)13-20-25(23,24)11-10-15-7-3-2-4-8-15/h2-9,12,20H,10-11,13H2,1H3,(H,21,22)
InChIKeyBBDWQKTYFRGMDP-UHFFFAOYSA-N
XLogP2.50
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.50
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
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325811
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324343
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324455
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324721
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
CID 110325696
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea
CID 1467470
3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 18525037

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide (CID 110324486) is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide is Cc1cccc2cc(CNS(=O)(=O)CCc3ccccc3)c(=O)[nH]c12.
What is the InChIKey of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide?
The InChIKey is BBDWQKTYFRGMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-14-6-5-9-16-12-17(19(22)21-18(14)16)13-20-25(23,24)11-10-15-7-3-2-4-8-15/h2-9,12,20H,10-11,13H2,1H3,(H,21,22).
What are the key properties of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide?
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110324486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).