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

C18H20N2O6S — CID 3156714

IUPACN-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O6S/c1-2-9-19-27(22,23)15-6-4-14(5-7-15)24-11-18(21)20-13-3-8-16-17(10-13)26-12-25-16/h3-8,10,19H,2,9,11-12H2,1H3,(H,20,21)
InChIKeySEJLTVNNTKUTFH-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.12
Rot. Bonds8

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

N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide (PubChem CID 3156714) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
PubChem CID3156714
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O6S/c1-2-9-19-27(22,23)15-6-4-14(5-7-15)24-11-18(21)20-13-3-8-16-17(10-13)26-12-25-16/h3-8,10,19H,2,9,11-12H2,1H3,(H,20,21)
InChIKeySEJLTVNNTKUTFH-UHFFFAOYSA-N
XLogP2.12
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 835559
1-(1,3-Benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]urea
CID 2206548
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8108481
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 16247877
1-(1,3-Benzodioxol-5-yl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 17298730
N-(2H-1,3-Benzodioxol-5-YL)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide
CID 2279484
Ethyl {4-[(1,3-benzodioxol-5-ylamino)sulfonyl]phenoxy}acetate
CID 1005954
N-Benzo[1,3]dioxol-5-yl-2-(methanesulfonyl-phenyl-amino)-acetamide
CID 645332
2-(4-tert-Butylsulfamoyl-phenoxy)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
CID 646484
N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide
CID 649505
N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 652815
2-[Benzenesulfonyl-(3-methoxy-phenyl)-amino]-N-benzo[1,3]dioxol-5-yl-acetamide
CID 1000949

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide (CID 3156714) is N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide is CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The InChIKey is SEJLTVNNTKUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-2-9-19-27(22,23)15-6-4-14(5-7-15)24-11-18(21)20-13-3-8-16-17(10-13)26-12-25-16/h3-8,10,19H,2,9,11-12H2,1H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide has a molecular weight of 392.43 g/mol, XLogP of 2.12, 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-yl)-2-[4-(propylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 3156714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).