N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide

C19H22N2O6S — CID 3155662

IUPACN-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O6S/c1-3-13(2)21-28(23,24)16-7-5-15(6-8-16)25-11-19(22)20-14-4-9-17-18(10-14)27-12-26-17/h4-10,13,21H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyHXJNBHGQTMHYBX-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.51
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide

N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 3155662) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID3155662
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O6S/c1-3-13(2)21-28(23,24)16-7-5-15(6-8-16)25-11-19(22)20-14-4-9-17-18(10-14)27-12-26-17/h4-10,13,21H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyHXJNBHGQTMHYBX-UHFFFAOYSA-N
XLogP2.51
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.51
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-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide (CID 3155662) is N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide is CCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is HXJNBHGQTMHYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-3-13(2)21-28(23,24)16-7-5-15(6-8-16)25-11-19(22)20-14-4-9-17-18(10-14)27-12-26-17/h4-10,13,21H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 406.46 g/mol, XLogP of 2.51, 8 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-yl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 3155662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).