3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide

C20H24N2O3S — CID 16927553

IUPAC3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1
InChIInChI=1S/C20H24N2O3S/c1-14(2)13-22-19-9-8-17(12-16(19)7-10-20(22)23)21-26(24,25)18-6-4-5-15(3)11-18/h4-6,8-9,11-12,14,21H,7,10,13H2,1-3H3
InChIKeyDKXNIQATXZYJFB-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.73
Rot. Bonds5

About 3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide

3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide (PubChem CID 16927553) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
PubChem CID16927553
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1
InChIInChI=1S/C20H24N2O3S/c1-14(2)13-22-19-9-8-17(12-16(19)7-10-20(22)23)21-26(24,25)18-6-4-5-15(3)11-18/h4-6,8-9,11-12,14,21H,7,10,13H2,1-3H3
InChIKeyDKXNIQATXZYJFB-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927465
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927387
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-methylbenzenesulfonamide
CID 30532671
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
5-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-sulfonamide
CID 16927563
3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729389
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
CID 71842856
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 40889537
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 16826950
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986
2,4,5-trimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927637

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide (CID 16927553) is 3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1.
What is the InChIKey of 3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
The InChIKey is DKXNIQATXZYJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14(2)13-22-19-9-8-17(12-16(19)7-10-20(22)23)21-26(24,25)18-6-4-5-15(3)11-18/h4-6,8-9,11-12,14,21H,7,10,13H2,1-3H3.
What are the key properties of 3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide?
3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide is sourced from PubChem (CID 16927553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).