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

C19H21ClN2O6S — CID 1265764

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1
InChIInChI=1S/C19H21ClN2O6S/c1-12(2)22-29(24,25)14-4-6-16(15(20)8-14)26-10-19(23)21-9-13-3-5-17-18(7-13)28-11-27-17/h3-8,12,22H,9-11H2,1-2H3,(H,21,23)
InChIKeyLJWMXLJGWXUFGX-UHFFFAOYSA-N
MW440.91 g/mol
LogP2.45
Rot. Bonds8

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

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 1265764) has the molecular formula C19H21ClN2O6S and a molecular weight of 440.91 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID1265764
Molecular FormulaC19H21ClN2O6S
Molecular Weight440.91 g/mol
Exact Mass440.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1
InChIInChI=1S/C19H21ClN2O6S/c1-12(2)22-29(24,25)14-4-6-16(15(20)8-14)26-10-19(23)21-9-13-3-5-17-18(7-13)28-11-27-17/h3-8,12,22H,9-11H2,1-2H3,(H,21,23)
InChIKeyLJWMXLJGWXUFGX-UHFFFAOYSA-N
XLogP2.45
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 52.45
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-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 1265764) is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is LJWMXLJGWXUFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S/c1-12(2)22-29(24,25)14-4-6-16(15(20)8-14)26-10-19(23)21-9-13-3-5-17-18(7-13)28-11-27-17/h3-8,12,22H,9-11H2,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 440.91 g/mol, XLogP of 2.45, 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-ylmethyl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1265764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).