N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C27H29N3O3S — CID 1161839

IUPACN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1
InChIInChI=1S/C27H29N3O3S/c1-5-21-8-9-25-23(13-21)14-24(27(31)29-25)17-30(16-22-7-6-10-28-15-22)34(32,33)26-19(3)11-18(2)12-20(26)4/h6-15H,5,16-17H2,1-4H3,(H,29,31)
InChIKeyYDSYJLSIUBJMLN-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.80
Rot. Bonds7

About N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 1161839) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID1161839
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC NameN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1
InChIInChI=1S/C27H29N3O3S/c1-5-21-8-9-25-23(13-21)14-24(27(31)29-25)17-30(16-22-7-6-10-28-15-22)34(32,33)26-19(3)11-18(2)12-20(26)4/h6-15H,5,16-17H2,1-4H3,(H,29,31)
InChIKeyYDSYJLSIUBJMLN-UHFFFAOYSA-N
XLogP4.80
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1168813
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 4911896
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1373626
3-acetyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4713899
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1146854
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 1454936
2-chloro-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1146857
5-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 1170069
N-(1,3-benzodioxol-5-ylmethyl)-2,4,6-trimethyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 1165552
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)thiourea
CID 3170301
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1164942
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1165237

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 1161839) is N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1.
What is the InChIKey of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is YDSYJLSIUBJMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-5-21-8-9-25-23(13-21)14-24(27(31)29-25)17-30(16-22-7-6-10-28-15-22)34(32,33)26-19(3)11-18(2)12-20(26)4/h6-15H,5,16-17H2,1-4H3,(H,29,31).
What are the key properties of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 475.61 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1161839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).