N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C23H22N2O6S — CID 2597169

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1
InChIInChI=1S/C23H22N2O6S/c1-25(18-7-9-19(29-2)10-8-18)32(27,28)20-5-3-4-17(13-20)23(26)24-14-16-6-11-21-22(12-16)31-15-30-21/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyKGLSZQFOMXANQC-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.18
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 2597169) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID2597169
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1
InChIInChI=1S/C23H22N2O6S/c1-25(18-7-9-19(29-2)10-8-18)32(27,28)20-5-3-4-17(13-20)23(26)24-14-16-6-11-21-22(12-16)31-15-30-21/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyKGLSZQFOMXANQC-UHFFFAOYSA-N
XLogP3.18
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 742896
CID 742896
CID 57340900
CID 57340900
CID 4835037
CID 4835037
CID 5308996
CID 5308996
CID 733023
CID 733023
CID 20861039
CID 20861039
CID 4850860
CID 4850860
CID 656345
CID 656345
CID 1017311
CID 1017311
CID 1081048
CID 1081048
CID 1087778
CID 1087778
CID 1090448
CID 1090448

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 2597169) is N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is KGLSZQFOMXANQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-25(18-7-9-19(29-2)10-8-18)32(27,28)20-5-3-4-17(13-20)23(26)24-14-16-6-11-21-22(12-16)31-15-30-21/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 454.50 g/mol, XLogP of 3.18, 7 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-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 2597169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).