N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide

C21H24N2O3S — CID 110326427

IUPACN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C21H24N2O3S/c1-4-16-5-7-18(8-6-16)27(25,26)22-10-9-17-13-19-15(3)11-14(2)12-20(19)23-21(17)24/h5-8,11-13,22H,4,9-10H2,1-3H3,(H,23,24)
InChIKeyQGULEXIKBNAONM-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide (PubChem CID 110326427) 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]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide
PubChem CID110326427
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C21H24N2O3S/c1-4-16-5-7-18(8-6-16)27(25,26)22-10-9-17-13-19-15(3)11-14(2)12-20(19)23-21(17)24/h5-8,11-13,22H,4,9-10H2,1-3H3,(H,23,24)
InChIKeyQGULEXIKBNAONM-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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]-3,4-dimethylbenzenesulfonamide
CID 110326425
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]-1-(4-fluorophenyl)methanesulfonamide
CID 110326439
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326437
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110326441
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 110325519
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110325527
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 4054510
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110325510
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110326072
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide
CID 113083875

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide (CID 110326427) is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1.
What is the InChIKey of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide?
The InChIKey is QGULEXIKBNAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-4-16-5-7-18(8-6-16)27(25,26)22-10-9-17-13-19-15(3)11-14(2)12-20(19)23-21(17)24/h5-8,11-13,22H,4,9-10H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide?
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.23, 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]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 110326427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).