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

C21H24N2O6S — CID 1087082

IUPAC2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O6S/c24-21(22-16-5-10-19-20(13-16)28-12-11-27-19)14-29-17-6-8-18(9-7-17)30(25,26)23-15-3-1-2-4-15/h5-10,13,15,23H,1-4,11-12,14H2,(H,22,24)
InChIKeyTYBDLUPUOSPNGT-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.70
Rot. Bonds7

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

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 1087082) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID1087082
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O6S/c24-21(22-16-5-10-19-20(13-16)28-12-11-27-19)14-29-17-6-8-18(9-7-17)30(25,26)23-15-3-1-2-4-15/h5-10,13,15,23H,1-4,11-12,14H2,(H,22,24)
InChIKeyTYBDLUPUOSPNGT-UHFFFAOYSA-N
XLogP2.70
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 1087082) is 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is TYBDLUPUOSPNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c24-21(22-16-5-10-19-20(13-16)28-12-11-27-19)14-29-17-6-8-18(9-7-17)30(25,26)23-15-3-1-2-4-15/h5-10,13,15,23H,1-4,11-12,14H2,(H,22,24).
What are the key properties of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 432.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 1087082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).