N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

C23H22N2O6S — CID 2597179

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C23H22N2O6S/c1-25(19-5-3-4-6-20(19)29-2)32(27,28)18-10-8-17(9-11-18)23(26)24-14-16-7-12-21-22(13-16)31-15-30-21/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyIHZFAMPBBFDMIF-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.18
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 2597179) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID2597179
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C23H22N2O6S/c1-25(19-5-3-4-6-20(19)29-2)32(27,28)18-10-8-17(9-11-18)23(26)24-14-16-7-12-21-22(13-16)31-15-30-21/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyIHZFAMPBBFDMIF-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

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Related Compounds

CID 2083341
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CID 57340900
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CID 4835037
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CID 5308996
CID 5308996
CID 733023
CID 733023
CID 20861039
CID 20861039
CID 4850860
CID 4850860
CID 1087778
CID 1087778
CID 1128080
CID 1128080
CID 1304330
CID 1304330
CID 2082437
CID 2082437

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (CID 2597179) is N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is IHZFAMPBBFDMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-25(19-5-3-4-6-20(19)29-2)32(27,28)18-10-8-17(9-11-18)23(26)24-14-16-7-12-21-22(13-16)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)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-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)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 2597179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).