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

C19H20N2O3S — CID 110325696

IUPACN-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
SMILESO=c1[nH]c2ccccc2cc1CCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C19H20N2O3S/c22-19-17(14-16-8-4-5-9-18(16)21-19)10-12-20-25(23,24)13-11-15-6-2-1-3-7-15/h1-9,14,20H,10-13H2,(H,21,22)
InChIKeyQEYGVZHQVGUYKO-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.23
Rot. Bonds7

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

N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide (PubChem CID 110325696) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
PubChem CID110325696
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
SMILESO=c1[nH]c2ccccc2cc1CCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C19H20N2O3S/c22-19-17(14-16-8-4-5-9-18(16)21-19)10-12-20-25(23,24)13-11-15-6-2-1-3-7-15/h1-9,14,20H,10-13H2,(H,21,22)
InChIKeyQEYGVZHQVGUYKO-UHFFFAOYSA-N
XLogP2.23
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324343
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 110325936
3-[2-(propan-2-ylsulfamoylamino)ethyl]-1H-quinolin-2-one
CID 110609025
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110325820
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110326441
4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
CID 110324486
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110616746
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324721
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]propane-1-sulfonamide
CID 110326068
N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110325614

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide (CID 110325696) is N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide is O=c1[nH]c2ccccc2cc1CCNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide?
The InChIKey is QEYGVZHQVGUYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-19-17(14-16-8-4-5-9-18(16)21-19)10-12-20-25(23,24)13-11-15-6-2-1-3-7-15/h1-9,14,20H,10-13H2,(H,21,22).
What are the key properties of N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide?
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110325696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).