N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide

C22H26N2O3S — CID 110325614

IUPACN-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCC(C)c1ccc2[nH]c(=O)c(CNS(=O)(=O)CCCc3ccccc3)cc2c1
InChIInChI=1S/C22H26N2O3S/c1-16(2)18-10-11-21-19(13-18)14-20(22(25)24-21)15-23-28(26,27)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,16,23H,6,9,12,15H2,1-2H3,(H,24,25)
InChIKeyMQOAGLJHZNMZMI-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.70
Rot. Bonds8

About N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide

N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110325614) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110325614
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCC(C)c1ccc2[nH]c(=O)c(CNS(=O)(=O)CCCc3ccccc3)cc2c1
InChIInChI=1S/C22H26N2O3S/c1-16(2)18-10-11-21-19(13-18)14-20(22(25)24-21)15-23-28(26,27)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,16,23H,6,9,12,15H2,1-2H3,(H,24,25)
InChIKeyMQOAGLJHZNMZMI-UHFFFAOYSA-N
XLogP3.70
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.70
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-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324343
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-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110326441
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
CID 110325696
N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110786300
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110325820
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 110325936
2-(2-methoxyphenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
CID 110325585
N-(1H-indol-3-ylmethyl)-3-phenylpropane-1-sulfonamide
CID 110357490
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide (CID 110325614) is N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide is CC(C)c1ccc2[nH]c(=O)c(CNS(=O)(=O)CCCc3ccccc3)cc2c1.
What is the InChIKey of N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is MQOAGLJHZNMZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-16(2)18-10-11-21-19(13-18)14-20(22(25)24-21)15-23-28(26,27)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,16,23H,6,9,12,15H2,1-2H3,(H,24,25).
What are the key properties of N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110325614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).