N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide

C17H16N2O7S — CID 110370505

IUPACN-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H16N2O7S/c20-17(19-11-1-3-14-15(7-11)26-10-25-14)9-18-27(21,22)12-2-4-13-16(8-12)24-6-5-23-13/h1-4,7-8,18H,5-6,9-10H2,(H,19,20)
InChIKeyKPIICQABKDLUPP-UHFFFAOYSA-N
MW392.39 g/mol
LogP1.10
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide (PubChem CID 110370505) has the molecular formula C17H16N2O7S and a molecular weight of 392.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
PubChem CID110370505
Molecular FormulaC17H16N2O7S
Molecular Weight392.39 g/mol
Exact Mass392.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H16N2O7S/c20-17(19-11-1-3-14-15(7-11)26-10-25-14)9-18-27(21,22)12-2-4-13-16(8-12)24-6-5-23-13/h1-4,7-8,18H,5-6,9-10H2,(H,19,20)
InChIKeyKPIICQABKDLUPP-UHFFFAOYSA-N
XLogP1.10
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 1210774
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 110407287
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(4-tert-butylphenyl)acetamide
CID 112997615
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide
CID 112999713
methyl 4-[[2-(1,3-benzodioxol-5-ylsulfonylamino)acetyl]amino]benzoate
CID 112999981
3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 110606353
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9171843
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370561
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110606294

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide (CID 110370505) is N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide is O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide?
The InChIKey is KPIICQABKDLUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O7S/c20-17(19-11-1-3-14-15(7-11)26-10-25-14)9-18-27(21,22)12-2-4-13-16(8-12)24-6-5-23-13/h1-4,7-8,18H,5-6,9-10H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide has a molecular weight of 392.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide is sourced from PubChem (CID 110370505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).