N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide

C19H22N2O5S — CID 2597166

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(23,24)16-8-6-15(7-9-16)19(22)20-12-14-5-10-17-18(11-14)26-13-25-17/h5-11H,3-4,12-13H2,1-2H3,(H,20,22)
InChIKeyOMFQRRJXJKPJMW-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.38
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide (PubChem CID 2597166) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide
PubChem CID2597166
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(23,24)16-8-6-15(7-9-16)19(22)20-12-14-5-10-17-18(11-14)26-13-25-17/h5-11H,3-4,12-13H2,1-2H3,(H,20,22)
InChIKeyOMFQRRJXJKPJMW-UHFFFAOYSA-N
XLogP2.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide (CID 2597166) is N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide?
The InChIKey is OMFQRRJXJKPJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-21(4-2)27(23,24)16-8-6-15(7-9-16)19(22)20-12-14-5-10-17-18(11-14)26-13-25-17/h5-11H,3-4,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 2597166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).