2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

C26H27N3O3S — CID 1168813

IUPAC2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1
InChIInChI=1S/C26H27N3O3S/c1-17-11-19(3)25(20(4)12-17)33(31,32)29(15-21-8-6-10-27-14-21)16-23-13-22-9-5-7-18(2)24(22)28-26(23)30/h5-14H,15-16H2,1-4H3,(H,28,30)
InChIKeyBVKCASLXZIYYSK-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.55
Rot. Bonds6

About 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 1168813) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID1168813
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1
InChIInChI=1S/C26H27N3O3S/c1-17-11-19(3)25(20(4)12-17)33(31,32)29(15-21-8-6-10-27-14-21)16-23-13-22-9-5-7-18(2)24(22)28-26(23)30/h5-14H,15-16H2,1-4H3,(H,28,30)
InChIKeyBVKCASLXZIYYSK-UHFFFAOYSA-N
XLogP4.55
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1161490
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1161839
N-(3-hydroxypropyl)-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3186013
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-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1373629
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1146854
1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 1138005
methyl 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 23959129
2-chloro-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1146857
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 4911896
ethyl 4-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 1161973
3-acetyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4713899

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 1168813) is 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is BVKCASLXZIYYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-17-11-19(3)25(20(4)12-17)33(31,32)29(15-21-8-6-10-27-14-21)16-23-13-22-9-5-7-18(2)24(22)28-26(23)30/h5-14H,15-16H2,1-4H3,(H,28,30).
What are the key properties of 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 461.59 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1168813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).