2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide

C19H22N2O7S — CID 91954213

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
SMILESCOCCNS(=O)(=O)Cc1cccc(NC(=O)COc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H22N2O7S/c1-25-8-7-20-29(23,24)12-14-3-2-4-15(9-14)21-19(22)11-26-16-5-6-17-18(10-16)28-13-27-17/h2-6,9-10,20H,7-8,11-13H2,1H3,(H,21,22)
InChIKeySIBNVBQOJACNGD-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.50
Rot. Bonds10

About 2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide

2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide (PubChem CID 91954213) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
PubChem CID91954213
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
SMILESCOCCNS(=O)(=O)Cc1cccc(NC(=O)COc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H22N2O7S/c1-25-8-7-20-29(23,24)12-14-3-2-4-15(9-14)21-19(22)11-26-16-5-6-17-18(10-16)28-13-27-17/h2-6,9-10,20H,7-8,11-13H2,1H3,(H,21,22)
InChIKeySIBNVBQOJACNGD-UHFFFAOYSA-N
XLogP1.50
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide
CID 29454663
N-(1,3-benzodioxol-5-yl)-2-[4-(benzylsulfamoyl)phenoxy]acetamide
CID 1088591
2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide
CID 120986488
2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide
CID 22300192
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509
N-[3-(diethylsulfamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534227
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide
CID 17310311
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]oxolane-2-carboxamide
CID 91954252
N-[3-[3-(1,3-benzodioxol-5-yloxymethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55804995

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide (CID 91954213) is 2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide is COCCNS(=O)(=O)Cc1cccc(NC(=O)COc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide?
The InChIKey is SIBNVBQOJACNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-25-8-7-20-29(23,24)12-14-3-2-4-15(9-14)21-19(22)11-26-16-5-6-17-18(10-16)28-13-27-17/h2-6,9-10,20H,7-8,11-13H2,1H3,(H,21,22).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide has a molecular weight of 422.46 g/mol, XLogP of 1.50, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide is sourced from PubChem (CID 91954213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).