4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C18H22N2O6S — CID 26445094

IUPAC4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O6S/c1-19-27(22,23)14-7-5-13(6-8-14)18(21)20-11-12-9-15(24-2)17(26-4)16(10-12)25-3/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyZMJXNIIVAZJDSL-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.55
Rot. Bonds8

About 4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 26445094) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID26445094
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O6S/c1-19-27(22,23)14-7-5-13(6-8-14)18(21)20-11-12-9-15(24-2)17(26-4)16(10-12)25-3/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyZMJXNIIVAZJDSL-UHFFFAOYSA-N
XLogP1.55
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[[4-(methylsulfamoyl)phenyl]methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377475
4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55875017
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 46463295
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
4-[(4-ethoxy-3,5-dimethoxyphenyl)methylsulfamoyl]-N-methylbenzamide
CID 49245676
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942
4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55822287
4-[(E)-pent-1-enyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59811273
4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 31446452

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 26445094) is 4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is CNS(=O)(=O)c1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is ZMJXNIIVAZJDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-19-27(22,23)14-7-5-13(6-8-14)18(21)20-11-12-9-15(24-2)17(26-4)16(10-12)25-3/h5-10,19H,11H2,1-4H3,(H,20,21).
What are the key properties of 4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 394.45 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 26445094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).