N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C20H24N2O5S — CID 1007014

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H24N2O5S/c1-14(2)22-28(24,25)17-7-3-15(4-8-17)5-10-20(23)21-16-6-9-18-19(13-16)27-12-11-26-18/h3-4,6-9,13-14,22H,5,10-12H2,1-2H3,(H,21,23)
InChIKeyTURYFHXONZMCMK-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.72
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 1007014) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID1007014
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H24N2O5S/c1-14(2)22-28(24,25)17-7-3-15(4-8-17)5-10-20(23)21-16-6-9-18-19(13-16)27-12-11-26-18/h3-4,6-9,13-14,22H,5,10-12H2,1-2H3,(H,21,23)
InChIKeyTURYFHXONZMCMK-UHFFFAOYSA-N
XLogP2.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 1007014) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is TURYFHXONZMCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14(2)22-28(24,25)17-7-3-15(4-8-17)5-10-20(23)21-16-6-9-18-19(13-16)27-12-11-26-18/h3-4,6-9,13-14,22H,5,10-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 404.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1007014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).