2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide

C23H26N2O3S — CID 60539644

IUPAC2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2cccc(OCc3ccccn3)c2)c1C
InChIInChI=1S/C23H26N2O3S/c1-16-12-17(2)19(4)23(18(16)3)29(26,27)25-14-20-8-7-10-22(13-20)28-15-21-9-5-6-11-24-21/h5-13,25H,14-15H2,1-4H3
InChIKeyGJWLFADXTGPDKV-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.37
Rot. Bonds7

About 2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 60539644) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID60539644
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2cccc(OCc3ccccn3)c2)c1C
InChIInChI=1S/C23H26N2O3S/c1-16-12-17(2)19(4)23(18(16)3)29(26,27)25-14-20-8-7-10-22(13-20)28-15-21-9-5-6-11-24-21/h5-13,25H,14-15H2,1-4H3
InChIKeyGJWLFADXTGPDKV-UHFFFAOYSA-N
XLogP4.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide
CID 87032970
4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 87032975
2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 55645155
1,2-dimethyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110893221
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107326525
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide
CID 46487631
(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide (CID 60539644) is 2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2cccc(OCc3ccccn3)c2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is GJWLFADXTGPDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16-12-17(2)19(4)23(18(16)3)29(26,27)25-14-20-8-7-10-22(13-20)28-15-21-9-5-6-11-24-21/h5-13,25H,14-15H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 60539644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).