N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide

C19H22N2O5S — CID 2230238

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-21-27(23,24)16-7-3-14(4-8-16)6-10-19(22)20-12-15-5-9-17-18(11-15)26-13-25-17/h3-5,7-9,11,21H,2,6,10,12-13H2,1H3,(H,20,22)
InChIKeyLABZWNPNLBYLHP-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.96
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide (PubChem CID 2230238) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
PubChem CID2230238
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-21-27(23,24)16-7-3-14(4-8-16)6-10-19(22)20-12-15-5-9-17-18(11-15)26-13-25-17/h3-5,7-9,11,21H,2,6,10,12-13H2,1H3,(H,20,22)
InChIKeyLABZWNPNLBYLHP-UHFFFAOYSA-N
XLogP1.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide (CID 2230238) is N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The InChIKey is LABZWNPNLBYLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-21-27(23,24)16-7-3-14(4-8-16)6-10-19(22)20-12-15-5-9-17-18(11-15)26-13-25-17/h3-5,7-9,11,21H,2,6,10,12-13H2,1H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide has a molecular weight of 390.46 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2230238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).