3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide

C25H28N2O6S — CID 38123236

IUPAC3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C25H28N2O6S/c1-26-34(29,30)17-20-11-9-18(10-12-20)15-27-25(28)21-13-22(31-2)24(23(14-21)32-3)33-16-19-7-5-4-6-8-19/h4-14,26H,15-17H2,1-3H3,(H,27,28)
InChIKeyGAZIIOPZYXPQGI-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.26
Rot. Bonds11

About 3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide

3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide (PubChem CID 38123236) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide
PubChem CID38123236
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C25H28N2O6S/c1-26-34(29,30)17-20-11-9-18(10-12-20)15-27-25(28)21-13-22(31-2)24(23(14-21)32-3)33-16-19-7-5-4-6-8-19/h4-14,26H,15-17H2,1-3H3,(H,27,28)
InChIKeyGAZIIOPZYXPQGI-UHFFFAOYSA-N
XLogP3.26
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
3,5-dimethoxy-N-[2-(4-methylphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 9456714
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide?
The IUPAC name of 3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide (CID 38123236) is 3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc1.
What is the InChIKey of 3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide?
The InChIKey is GAZIIOPZYXPQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-26-34(29,30)17-20-11-9-18(10-12-20)15-27-25(28)21-13-22(31-2)24(23(14-21)32-3)33-16-19-7-5-4-6-8-19/h4-14,26H,15-17H2,1-3H3,(H,27,28).
What are the key properties of 3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide?
3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide has a molecular weight of 484.57 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 38123236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).