N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide

C19H22N2O6S — CID 647724

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O6S/c1-2-9-21-28(23,24)16-6-4-15(5-7-16)25-12-19(22)20-11-14-3-8-17-18(10-14)27-13-26-17/h3-8,10,21H,2,9,11-13H2,1H3,(H,20,22)
InChIKeyZPUVAVVUHAHISG-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.80
Rot. Bonds9

About N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide (PubChem CID 647724) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
PubChem CID647724
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O6S/c1-2-9-21-28(23,24)16-6-4-15(5-7-16)25-12-19(22)20-11-14-3-8-17-18(10-14)27-13-26-17/h3-8,10,21H,2,9,11-13H2,1H3,(H,20,22)
InChIKeyZPUVAVVUHAHISG-UHFFFAOYSA-N
XLogP1.80
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide (CID 647724) is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide is CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The InChIKey is ZPUVAVVUHAHISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-2-9-21-28(23,24)16-6-4-15(5-7-16)25-12-19(22)20-11-14-3-8-17-18(10-14)27-13-26-17/h3-8,10,21H,2,9,11-13H2,1H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide has a molecular weight of 406.46 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 647724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).