N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide

C20H24N2O5S — CID 2582397

IUPACN-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H24N2O5S/c1-3-10-22(11-4-2)28(24,25)17-7-5-6-15(12-17)20(23)21-16-8-9-18-19(13-16)27-14-26-18/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,21,23)
InChIKeyKMSMTPMVYHDGGK-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.48
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide

N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide (PubChem CID 2582397) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide
PubChem CID2582397
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H24N2O5S/c1-3-10-22(11-4-2)28(24,25)17-7-5-6-15(12-17)20(23)21-16-8-9-18-19(13-16)27-14-26-18/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,21,23)
InChIKeyKMSMTPMVYHDGGK-UHFFFAOYSA-N
XLogP3.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 1262699
N-(1,3-benzodioxol-5-yl)-2-(ethylsulfanyl)benzamide
CID 1094117
N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
CID 2225277
N-1,3-benzodioxol-5-yl-2-(methylthio)benzamide
CID 2227233
N-1,3-benzodioxol-5-yl-4-butoxybenzamide
CID 2233891
4-acetyl-N-(1,3-benzodioxol-5-yl)benzenesulfonamide
CID 2486492
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 4835037
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4853782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4854007
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 9442147
N-(1,3-benzodioxol-5-yl)-2-methylbenzamide
CID 652863

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide (CID 2582397) is N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide?
The InChIKey is KMSMTPMVYHDGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-3-10-22(11-4-2)28(24,25)17-7-5-6-15(12-17)20(23)21-16-8-9-18-19(13-16)27-14-26-18/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide?
N-(1,3-benzodioxol-5-yl)-3-(dipropylsulfamoyl)benzamide has a molecular weight of 404.49 g/mol, XLogP of 3.48, 8 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-yl)-3-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 2582397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).