N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide

C19H22N2O5S — CID 654454

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(2)12-20-27(23,24)16-6-3-14(4-7-16)19(22)21-15-5-8-17-18(11-15)26-10-9-25-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyPSBUYJXUXCNXSV-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.64
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide (PubChem CID 654454) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide
PubChem CID654454
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(2)12-20-27(23,24)16-6-3-14(4-7-16)19(22)21-15-5-8-17-18(11-15)26-10-9-25-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyPSBUYJXUXCNXSV-UHFFFAOYSA-N
XLogP2.64
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide 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 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide (CID 654454) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide is CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is PSBUYJXUXCNXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(2)12-20-27(23,24)16-6-3-14(4-7-16)19(22)21-15-5-8-17-18(11-15)26-10-9-25-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.64, 6 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)-4-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 654454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).