N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

C19H22N2O6S — CID 1083019

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H22N2O6S/c1-13(2)21-28(23,24)16-6-4-15(5-7-16)27-12-19(22)20-14-3-8-17-18(11-14)26-10-9-25-17/h3-8,11,13,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyUSFKKPCGKUMVGA-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.16
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 1083019) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID1083019
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H22N2O6S/c1-13(2)21-28(23,24)16-6-4-15(5-7-16)27-12-19(22)20-14-3-8-17-18(11-14)26-10-9-25-17/h3-8,11,13,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyUSFKKPCGKUMVGA-UHFFFAOYSA-N
XLogP2.16
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 868039
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)acetamide
CID 2984348
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenoxy)acetamide
CID 2986739
[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-phenoxyacetate
CID 4461285
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-diethoxyphenyl)acetamide
CID 4784017
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate
CID 5162667
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 16247877
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[methanesulfonyl-(2-methoxy-phenyl)-amino]-acetamide
CID 655700
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(phenylsulfonyl)glycine
CID 951593
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 1264006
1-(4-acetamidophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2-carboxamide
CID 3164173

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 1083019) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is USFKKPCGKUMVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-13(2)21-28(23,24)16-6-4-15(5-7-16)27-12-19(22)20-14-3-8-17-18(11-14)26-10-9-25-17/h3-8,11,13,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 406.46 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1083019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).