N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide

C24H24N2O6S — CID 2608068

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C)cc1
InChIInChI=1S/C24H24N2O6S/c1-3-30-20-9-7-19(8-10-20)26-33(28,29)23-13-18(6-4-16(23)2)24(27)25-14-17-5-11-21-22(12-17)32-15-31-21/h4-13,26H,3,14-15H2,1-2H3,(H,25,27)
InChIKeyOOKKWZCWMXWRBC-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.85
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 2608068) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID2608068
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C)cc1
InChIInChI=1S/C24H24N2O6S/c1-3-30-20-9-7-19(8-10-20)26-33(28,29)23-13-18(6-4-16(23)2)24(27)25-14-17-5-11-21-22(12-17)32-15-31-21/h4-13,26H,3,14-15H2,1-2H3,(H,25,27)
InChIKeyOOKKWZCWMXWRBC-UHFFFAOYSA-N
XLogP3.85
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 2240526
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26852105
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 17496950
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
CID 35154636
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyanilino)propanamide
CID 109022658
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 25162121
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide
CID 43021239
3-(1,3-benzodioxol-5-ylsulfamoyl)-4-methylbenzoic acid
CID 8822258

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 2608068) is N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is OOKKWZCWMXWRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-3-30-20-9-7-19(8-10-20)26-33(28,29)23-13-18(6-4-16(23)2)24(27)25-14-17-5-11-21-22(12-17)32-15-31-21/h4-13,26H,3,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 468.53 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 2608068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).