3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide

C19H21N3O6S — CID 9163346

IUPAC3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H21N3O6S/c1-2-8-20-18(23)11-21-19(24)13-4-3-5-15(9-13)29(25,26)22-14-6-7-16-17(10-14)28-12-27-16/h3-7,9-10,22H,2,8,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyGWFVLOOXWBKNKN-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.47
Rot. Bonds8

About 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide

3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 9163346) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID9163346
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H21N3O6S/c1-2-8-20-18(23)11-21-19(24)13-4-3-5-15(9-13)29(25,26)22-14-6-7-16-17(10-14)28-12-27-16/h3-7,9-10,22H,2,8,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyGWFVLOOXWBKNKN-UHFFFAOYSA-N
XLogP1.47
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 9224817
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide
CID 32904387
N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4851184
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575917
4-(1,3-benzodioxol-5-ylsulfamoyl)-N-butylbenzamide
CID 109058656
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide
CID 9271915
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
3-(benzenesulfonamido)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 18137070
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 42936334
N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27658939
3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 110606353

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 9163346) is 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is GWFVLOOXWBKNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-2-8-20-18(23)11-21-19(24)13-4-3-5-15(9-13)29(25,26)22-14-6-7-16-17(10-14)28-12-27-16/h3-7,9-10,22H,2,8,11-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide?
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 419.46 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 9163346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).