N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

C24H24N2O6S — CID 1241923

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)c1
InChIInChI=1S/C24H24N2O6S/c1-16-3-4-17(2)21(11-16)26-33(28,29)20-8-6-19(7-9-20)30-14-24(27)25-13-18-5-10-22-23(12-18)32-15-31-22/h3-12,26H,13-15H2,1-2H3,(H,25,27)
InChIKeyKDFDOYOAHHONAZ-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.53
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 1241923) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID1241923
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)c1
InChIInChI=1S/C24H24N2O6S/c1-16-3-4-17(2)21(11-16)26-33(28,29)20-8-6-19(7-9-20)30-14-24(27)25-13-18-5-10-22-23(12-18)32-15-31-22/h3-12,26H,13-15H2,1-2H3,(H,25,27)
InChIKeyKDFDOYOAHHONAZ-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 2207036
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 1260914
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1252193
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254841
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclohexylphenoxy)acetamide
CID 1128081
ethyl 4-[2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 3905108
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 126174391
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 30715668
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 2582175
N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3913624

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide (CID 1241923) is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is KDFDOYOAHHONAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-16-3-4-17(2)21(11-16)26-33(28,29)20-8-6-19(7-9-20)30-14-24(27)25-13-18-5-10-22-23(12-18)32-15-31-22/h3-12,26H,13-15H2,1-2H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 468.53 g/mol, XLogP of 3.53, 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)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 1241923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).