N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide

C21H24N2O3S — CID 110326437

IUPACN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C21H24N2O3S/c1-14-5-4-6-17(10-14)13-27(25,26)22-8-7-18-12-19-16(3)9-15(2)11-20(19)23-21(18)24/h4-6,9-12,22H,7-8,13H2,1-3H3,(H,23,24)
InChIKeyXELOFCXFOOSMFE-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110326437) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID110326437
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C21H24N2O3S/c1-14-5-4-6-17(10-14)13-27(25,26)22-8-7-18-12-19-16(3)9-15(2)11-20(19)23-21(18)24/h4-6,9-12,22H,7-8,13H2,1-3H3,(H,23,24)
InChIKeyXELOFCXFOOSMFE-UHFFFAOYSA-N
XLogP3.12
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110326439
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326328
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 110326434
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110326441
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326425
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide
CID 110326427
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 110325936
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325538
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110325510
1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
CID 110325870
1-[(3-chlorophenyl)methyl]-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110414049
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide (CID 110326437) is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)c1.
What is the InChIKey of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is XELOFCXFOOSMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-5-4-6-17(10-14)13-27(25,26)22-8-7-18-12-19-16(3)9-15(2)11-20(19)23-21(18)24/h4-6,9-12,22H,7-8,13H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide?
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110326437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).