N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide

C21H24N2O3S — CID 4908754

IUPACN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cccc2cc(CN(CC(C)C)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C21H24N2O3S/c1-15(2)13-23(27(25,26)19-10-5-4-6-11-19)14-18-12-17-9-7-8-16(3)20(17)22-21(18)24/h4-12,15H,13-14H2,1-3H3,(H,22,24)
InChIKeyUQSGNMNOLREEEU-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.68
Rot. Bonds6

About N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 4908754) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID4908754
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cccc2cc(CN(CC(C)C)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C21H24N2O3S/c1-15(2)13-23(27(25,26)19-10-5-4-6-11-19)14-18-12-17-9-7-8-16(3)20(17)22-21(18)24/h4-12,15H,13-14H2,1-3H3,(H,22,24)
InChIKeyUQSGNMNOLREEEU-UHFFFAOYSA-N
XLogP3.68
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide (CID 4908754) is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide is Cc1cccc2cc(CN(CC(C)C)S(=O)(=O)c3ccccc3)c(=O)[nH]c12.
What is the InChIKey of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is UQSGNMNOLREEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15(2)13-23(27(25,26)19-10-5-4-6-11-19)14-18-12-17-9-7-8-16(3)20(17)22-21(18)24/h4-12,15H,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide?
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 4908754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).