N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide

C19H20N2O3S — CID 110324343

IUPACN-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESO=c1[nH]c2ccccc2cc1CNS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C19H20N2O3S/c22-19-17(13-16-10-4-5-11-18(16)21-19)14-20-25(23,24)12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,20H,6,9,12,14H2,(H,21,22)
InChIKeyWPGZSTMJRSXPLT-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.58
Rot. Bonds7

About N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide

N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110324343) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110324343
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESO=c1[nH]c2ccccc2cc1CNS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C19H20N2O3S/c22-19-17(13-16-10-4-5-11-18(16)21-19)14-20-25(23,24)12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,20H,6,9,12,14H2,(H,21,22)
InChIKeyWPGZSTMJRSXPLT-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324721
N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110325614
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
CID 110325696
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110666154
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
CID 110324486
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110325820
N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide
CID 110357490
3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
CID 82712733
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110326441
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide (CID 110324343) is N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide is O=c1[nH]c2ccccc2cc1CNS(=O)(=O)CCCc1ccccc1.
What is the InChIKey of N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is WPGZSTMJRSXPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-19-17(13-16-10-4-5-11-18(16)21-19)14-20-25(23,24)12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,20H,6,9,12,14H2,(H,21,22).
What are the key properties of N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110324343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).