3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide

C19H22N2O5S — CID 32904387

IUPAC3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H22N2O5S/c1-3-4-10-21(2)19(22)14-6-5-7-16(11-14)27(23,24)20-15-8-9-17-18(12-15)26-13-25-17/h5-9,11-12,20H,3-4,10,13H2,1-2H3
InChIKeyIJCXMAQGMSGWMC-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.09
Rot. Bonds7

About 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide

3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide (PubChem CID 32904387) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide
PubChem CID32904387
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H22N2O5S/c1-3-4-10-21(2)19(22)14-6-5-7-16(11-14)27(23,24)20-15-8-9-17-18(12-15)26-13-25-17/h5-9,11-12,20H,3-4,10,13H2,1-2H3
InChIKeyIJCXMAQGMSGWMC-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163346
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 9224817
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
4-(1,3-benzodioxol-5-ylsulfamoyl)-N-butylbenzamide
CID 109058656
2-(1,3-benzodioxol-5-ylamino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263949
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24548619
N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide
CID 9271915
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575917

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide?
The IUPAC name of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide (CID 32904387) is 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide?
The InChIKey is IJCXMAQGMSGWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-4-10-21(2)19(22)14-6-5-7-16(11-14)27(23,24)20-15-8-9-17-18(12-15)26-13-25-17/h5-9,11-12,20H,3-4,10,13H2,1-2H3.
What are the key properties of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide?
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide has a molecular weight of 390.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide is sourced from PubChem (CID 32904387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).