N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide

C24H24N2O5S — CID 46653296

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C24H24N2O5S/c1-3-26(15-18-6-13-22-23(14-18)31-16-30-22)24(27)19-7-11-21(12-8-19)32(28,29)25-20-9-4-17(2)5-10-20/h4-14,25H,3,15-16H2,1-2H3
InChIKeyAFOUXEFDMYBIJX-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.19
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 46653296) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID46653296
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C24H24N2O5S/c1-3-26(15-18-6-13-22-23(14-18)31-16-30-22)24(27)19-7-11-21(12-8-19)32(28,29)25-20-9-4-17(2)5-10-20/h4-14,25H,3,15-16H2,1-2H3
InChIKeyAFOUXEFDMYBIJX-UHFFFAOYSA-N
XLogP4.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55438165
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 55438292
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254841
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32590195
ethyl 4-(1,3-benzodioxol-5-ylsulfamoyl)benzoate
CID 2106204
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 55464922
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 42999156
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 42724439
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 46653296) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is AFOUXEFDMYBIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-3-26(15-18-6-13-22-23(14-18)31-16-30-22)24(27)19-7-11-21(12-8-19)32(28,29)25-20-9-4-17(2)5-10-20/h4-14,25H,3,15-16H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 452.53 g/mol, XLogP of 4.19, 7 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-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46653296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).