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

C21H24N2O3S — CID 110325820

IUPACN-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cccc2cc(CCNS(=O)(=O)CCCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C21H24N2O3S/c1-16-7-5-11-18-15-19(21(24)23-20(16)18)12-13-22-27(25,26)14-6-10-17-8-3-2-4-9-17/h2-5,7-9,11,15,22H,6,10,12-14H2,1H3,(H,23,24)
InChIKeyCGUILYVWAXXHPP-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.93
Rot. Bonds8

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

N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110325820) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
PubChem CID110325820
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cccc2cc(CCNS(=O)(=O)CCCc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C21H24N2O3S/c1-16-7-5-11-18-15-19(21(24)23-20(16)18)12-13-22-27(25,26)14-6-10-17-8-3-2-4-9-17/h2-5,7-9,11,15,22H,6,10,12-14H2,1H3,(H,23,24)
InChIKeyCGUILYVWAXXHPP-UHFFFAOYSA-N
XLogP2.93
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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]-1-(2-methylphenyl)methanesulfonamide
CID 110325811
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-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324343
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326328
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324721
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 855659
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide (CID 110325820) is N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide is Cc1cccc2cc(CCNS(=O)(=O)CCCc3ccccc3)c(=O)[nH]c12.
What is the InChIKey of N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is CGUILYVWAXXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-16-7-5-11-18-15-19(21(24)23-20(16)18)12-13-22-27(25,26)14-6-10-17-8-3-2-4-9-17/h2-5,7-9,11,15,22H,6,10,12-14H2,1H3,(H,23,24).
What are the key properties of N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide?
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 2.93, 8 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]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110325820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).