2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide

C20H24N2O6S — CID 6493039

IUPAC2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H24N2O6S/c1-13(2)22-20(23)14(3)28-16-5-7-17(8-6-16)29(24,25)21-11-15-4-9-18-19(10-15)27-12-26-18/h4-10,13-14,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyABIYTXYOZPZNTJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.19
Rot. Bonds8

About 2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide

2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide (PubChem CID 6493039) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide
PubChem CID6493039
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H24N2O6S/c1-13(2)22-20(23)14(3)28-16-5-7-17(8-6-16)29(24,25)21-11-15-4-9-18-19(10-15)27-12-26-18/h4-10,13-14,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyABIYTXYOZPZNTJ-UHFFFAOYSA-N
XLogP2.19
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide (CID 6493039) is 2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is ABIYTXYOZPZNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-13(2)22-20(23)14(3)28-16-5-7-17(8-6-16)29(24,25)21-11-15-4-9-18-19(10-15)27-12-26-18/h4-10,13-14,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of 2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide?
2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 420.49 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 6493039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).