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

C21H24N2O3S — CID 110326425

IUPACN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)c2cc(CCNS(=O)(=O)c3ccc(C)c(C)c3)c(=O)[nH]c2c1
InChIInChI=1S/C21H24N2O3S/c1-13-9-16(4)19-12-17(21(24)23-20(19)10-13)7-8-22-27(25,26)18-6-5-14(2)15(3)11-18/h5-6,9-12,22H,7-8H2,1-4H3,(H,23,24)
InChIKeyCNUPSKDVKPNUIQ-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.28
Rot. Bonds5

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

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 110326425) 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]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID110326425
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)c2cc(CCNS(=O)(=O)c3ccc(C)c(C)c3)c(=O)[nH]c2c1
InChIInChI=1S/C21H24N2O3S/c1-13-9-16(4)19-12-17(21(24)23-20(19)10-13)7-8-22-27(25,26)18-6-5-14(2)15(3)11-18/h5-6,9-12,22H,7-8H2,1-4H3,(H,23,24)
InChIKeyCNUPSKDVKPNUIQ-UHFFFAOYSA-N
XLogP3.28
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide with MolForge

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Related Compounds

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]-4-ethylbenzenesulfonamide
CID 110326427
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110325527
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-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326222
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-[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-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide (CID 110326425) is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide is Cc1cc(C)c2cc(CCNS(=O)(=O)c3ccc(C)c(C)c3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is CNUPSKDVKPNUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-13-9-16(4)19-12-17(21(24)23-20(19)10-13)7-8-22-27(25,26)18-6-5-14(2)15(3)11-18/h5-6,9-12,22H,7-8H2,1-4H3,(H,23,24).
What are the key properties of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide?
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.28, 5 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]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110326425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).