2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C22H26N2O6S — CID 1084691

IUPAC2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O6S/c25-22(23-17-6-11-20-21(14-17)29-13-12-28-20)15-30-18-7-9-19(10-8-18)31(26,27)24-16-4-2-1-3-5-16/h6-11,14,16,24H,1-5,12-13,15H2,(H,23,25)
InChIKeyDZBVIUGQJDFAKN-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.09
Rot. Bonds7

About 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 1084691) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID1084691
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H26N2O6S/c25-22(23-17-6-11-20-21(14-17)29-13-12-28-20)15-30-18-7-9-19(10-8-18)31(26,27)24-16-4-2-1-3-5-16/h6-11,14,16,24H,1-5,12-13,15H2,(H,23,25)
InChIKeyDZBVIUGQJDFAKN-UHFFFAOYSA-N
XLogP3.09
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 1084691) is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is DZBVIUGQJDFAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c25-22(23-17-6-11-20-21(14-17)29-13-12-28-20)15-30-18-7-9-19(10-8-18)31(26,27)24-16-4-2-1-3-5-16/h6-11,14,16,24H,1-5,12-13,15H2,(H,23,25).
What are the key properties of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 446.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 1084691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).