N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide

C24H24N2O6S — CID 2082437

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H24N2O6S/c1-26(15-17-6-4-3-5-7-17)33(28,29)23-13-19(9-11-21(23)30-2)24(27)25-14-18-8-10-20-22(12-18)32-16-31-20/h3-13H,14-16H2,1-2H3,(H,25,27)
InChIKeyPKHVOFNUEMSLGY-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.17
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide (PubChem CID 2082437) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide
PubChem CID2082437
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H24N2O6S/c1-26(15-17-6-4-3-5-7-17)33(28,29)23-13-19(9-11-21(23)30-2)24(27)25-14-18-8-10-20-22(12-18)32-16-31-20/h3-13H,14-16H2,1-2H3,(H,25,27)
InChIKeyPKHVOFNUEMSLGY-UHFFFAOYSA-N
XLogP3.17
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide (CID 2082437) is N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide?
The InChIKey is PKHVOFNUEMSLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-26(15-17-6-4-3-5-7-17)33(28,29)23-13-19(9-11-21(23)30-2)24(27)25-14-18-8-10-20-22(12-18)32-16-31-20/h3-13H,14-16H2,1-2H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide has a molecular weight of 468.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide is sourced from PubChem (CID 2082437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).