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

C20H24N2O6S — CID 646484

IUPAC2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H24N2O6S/c1-20(2,3)22-29(24,25)16-7-5-15(6-8-16)28-13-19(23)21-14-4-9-17-18(12-14)27-11-10-26-17/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyLORABCGDRKTLNK-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.55
Rot. Bonds6

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

2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 646484) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID646484
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H24N2O6S/c1-20(2,3)22-29(24,25)16-7-5-15(6-8-16)28-13-19(23)21-14-4-9-17-18(12-14)27-11-10-26-17/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyLORABCGDRKTLNK-UHFFFAOYSA-N
XLogP2.55
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.55
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-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1129998
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-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
[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)-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
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
CID 736378
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 1076320

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 646484) is 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is LORABCGDRKTLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-20(2,3)22-29(24,25)16-7-5-15(6-8-16)28-13-19(23)21-14-4-9-17-18(12-14)27-11-10-26-17/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 646484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).