2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide

C18H22N2O6S — CID 46463295

IUPAC2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C18H22N2O6S/c1-19-27(22,23)13-7-5-12(6-8-13)11-20-18(21)14-9-10-15(24-2)17(26-4)16(14)25-3/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyVQPMRVDADSVCAJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.55
Rot. Bonds8

About 2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide

2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 46463295) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
PubChem CID46463295
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C18H22N2O6S/c1-19-27(22,23)13-7-5-12(6-8-13)11-20-18(21)14-9-10-15(24-2)17(26-4)16(14)25-3/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyVQPMRVDADSVCAJ-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

2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344
2-methyl-1-[[4-(methylsulfamoyl)phenyl]methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377475
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111200950
2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
CID 61068031
2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 46463772
methyl N-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenyl]carbamate
CID 47057996
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
2-methoxy-5-(methylsulfamoyl)-N-propylbenzamide
CID 27260718

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide (CID 46463295) is 2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide is CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of 2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is VQPMRVDADSVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-19-27(22,23)13-7-5-12(6-8-13)11-20-18(21)14-9-10-15(24-2)17(26-4)16(14)25-3/h5-10,19H,11H2,1-4H3,(H,20,21).
What are the key properties of 2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]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 2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46463295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).