N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

C23H22N2O6S — CID 4243991

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)c(C)c2)cc1
InChIInChI=1S/C23H22N2O6S/c1-15-3-5-17(6-4-15)25-32(27,28)19-8-10-20(16(2)11-19)29-13-23(26)24-18-7-9-21-22(12-18)31-14-30-21/h3-12,25H,13-14H2,1-2H3,(H,24,26)
InChIKeyAUOIKKMCYBGKNY-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.85
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 4243991) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID4243991
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)c(C)c2)cc1
InChIInChI=1S/C23H22N2O6S/c1-15-3-5-17(6-4-15)25-32(27,28)19-8-10-20(16(2)11-19)29-13-23(26)24-18-7-9-21-22(12-18)31-14-30-21/h3-12,25H,13-14H2,1-2H3,(H,24,26)
InChIKeyAUOIKKMCYBGKNY-UHFFFAOYSA-N
XLogP3.85
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2227366
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2975724
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2223900
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388488
N-(2,3-dimethylphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126381639
N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 2712532
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 4785090
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-(3-methylphenoxy)acetamide
CID 46520435
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388597
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918852

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (CID 4243991) is N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)c(C)c2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is AUOIKKMCYBGKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-15-3-5-17(6-4-15)25-32(27,28)19-8-10-20(16(2)11-19)29-13-23(26)24-18-7-9-21-22(12-18)31-14-30-21/h3-12,25H,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 454.50 g/mol, XLogP of 3.85, 7 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-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 4243991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).