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

C22H25ClN2O6S — CID 1254815

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H25ClN2O6S/c23-18-11-17(32(27,28)25-16-4-2-1-3-5-16)7-9-19(18)29-13-22(26)24-12-15-6-8-20-21(10-15)31-14-30-20/h6-11,16,25H,1-5,12-14H2,(H,24,26)
InChIKeyVGAAYPRQDPXNIC-UHFFFAOYSA-N
MW480.97 g/mol
LogP3.37
Rot. Bonds8

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

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide (PubChem CID 1254815) has the molecular formula C22H25ClN2O6S and a molecular weight of 480.97 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide
PubChem CID1254815
Molecular FormulaC22H25ClN2O6S
Molecular Weight480.97 g/mol
Exact Mass480.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H25ClN2O6S/c23-18-11-17(32(27,28)25-16-4-2-1-3-5-16)7-9-19(18)29-13-22(26)24-12-15-6-8-20-21(10-15)31-14-30-20/h6-11,16,25H,1-5,12-14H2,(H,24,26)
InChIKeyVGAAYPRQDPXNIC-UHFFFAOYSA-N
XLogP3.37
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 53.37
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-(cyclohexylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide (CID 1254815) is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The InChIKey is VGAAYPRQDPXNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O6S/c23-18-11-17(32(27,28)25-16-4-2-1-3-5-16)7-9-19(18)29-13-22(26)24-12-15-6-8-20-21(10-15)31-14-30-20/h6-11,16,25H,1-5,12-14H2,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetamide has a molecular weight of 480.97 g/mol, XLogP of 3.37, 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-(cyclohexylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1254815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).