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

C20H24N2O6S — CID 2955392

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-14(2)22-29(24,25)17-7-5-16(6-8-17)26-12-20(23)21-11-15-4-9-18-19(10-15)28-13-27-18/h4-10,14,22H,3,11-13H2,1-2H3,(H,21,23)
InChIKeyMGBJFLHUKVZJTL-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.19
Rot. Bonds9

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

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 2955392) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID2955392
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-14(2)22-29(24,25)17-7-5-16(6-8-17)26-12-20(23)21-11-15-4-9-18-19(10-15)28-13-27-18/h4-10,14,22H,3,11-13H2,1-2H3,(H,21,23)
InChIKeyMGBJFLHUKVZJTL-UHFFFAOYSA-N
XLogP2.19
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.19
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-(butan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide (CID 2955392) is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide is CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is MGBJFLHUKVZJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-3-14(2)22-29(24,25)17-7-5-16(6-8-17)26-12-20(23)21-11-15-4-9-18-19(10-15)28-13-27-18/h4-10,14,22H,3,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(butan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.19, 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-(butan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 2955392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).