N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide

C18H20N2O5S — CID 20630879

IUPACN-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O5S/c1-18(2,3)26(22,23)20-13-6-4-12(5-7-13)17(21)19-14-8-9-15-16(10-14)25-11-24-15/h4-10,20H,11H2,1-3H3,(H,19,21)
InChIKeyDYOYTHAZASPLQY-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.21
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide

N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide (PubChem CID 20630879) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
PubChem CID20630879
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O5S/c1-18(2,3)26(22,23)20-13-6-4-12(5-7-13)17(21)19-14-8-9-15-16(10-14)25-11-24-15/h4-10,20H,11H2,1-3H3,(H,19,21)
InChIKeyDYOYTHAZASPLQY-UHFFFAOYSA-N
XLogP3.21
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide
CID 20630819
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
N-(1,3-benzodioxol-5-yl)-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 755409
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 27648604
N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
CID 9313872
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 42153471
1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050216
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
N-(1,3-benzodioxol-5-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2634707

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide (CID 20630879) is N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide is CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide?
The InChIKey is DYOYTHAZASPLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-18(2,3)26(22,23)20-13-6-4-12(5-7-13)17(21)19-14-8-9-15-16(10-14)25-11-24-15/h4-10,20H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide?
N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide has a molecular weight of 376.43 g/mol, XLogP of 3.21, 4 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-yl)-4-(tert-butylsulfonylamino)benzamide is sourced from PubChem (CID 20630879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).