N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide

C18H20N2O5S — CID 51324001

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H20N2O5S/c1-11-4-6-14(26(22,23)19-3)9-15(11)18(21)20-12(2)13-5-7-16-17(8-13)25-10-24-16/h4-9,12,19H,10H2,1-3H3,(H,20,21)
InChIKeyNZYUFSCBJMWURG-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.12
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 51324001) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
PubChem CID51324001
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H20N2O5S/c1-11-4-6-14(26(22,23)19-3)9-15(11)18(21)20-12(2)13-5-7-16-17(8-13)25-10-24-16/h4-9,12,19H,10H2,1-3H3,(H,20,21)
InChIKeyNZYUFSCBJMWURG-UHFFFAOYSA-N
XLogP2.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55501117
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 133165214
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromo-5-(cyclopropylsulfamoyl)benzamide
CID 24610224
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
CID 51177532
5-(tert-butylsulfamoyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylbenzamide
CID 55387703
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 51323702
2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide
CID 43037445
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 843900
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 40939726
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106685734
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51928644

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide (CID 51324001) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is NZYUFSCBJMWURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-11-4-6-14(26(22,23)19-3)9-15(11)18(21)20-12(2)13-5-7-16-17(8-13)25-10-24-16/h4-9,12,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 376.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 51324001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).