2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide

C20H24N2O7S — CID 17310311

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H24N2O7S/c1-2-26-11-3-10-21-30(24,25)17-7-4-15(5-8-17)22-20(23)13-27-16-6-9-18-19(12-16)29-14-28-18/h4-9,12,21H,2-3,10-11,13-14H2,1H3,(H,22,23)
InChIKeyLJDOWXFCQPUPDW-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.14
Rot. Bonds11

About 2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide

2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide (PubChem CID 17310311) has the molecular formula C20H24N2O7S and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide
PubChem CID17310311
Molecular FormulaC20H24N2O7S
Molecular Weight436.49 g/mol
Exact Mass436.13
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H24N2O7S/c1-2-26-11-3-10-21-30(24,25)17-7-4-15(5-8-17)22-20(23)13-27-16-6-9-18-19(12-16)29-14-28-18/h4-9,12,21H,2-3,10-11,13-14H2,1H3,(H,22,23)
InChIKeyLJDOWXFCQPUPDW-UHFFFAOYSA-N
XLogP2.14
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.14
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

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 30366365
N-(1,3-benzodioxol-5-yl)-2-[4-(benzylsulfamoyl)phenoxy]acetamide
CID 1088591
2-(1,3-benzodioxol-5-yloxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 17310281
2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17310285
N-(1,3-benzodioxol-5-yl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1082985
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethoxyphenyl)butanamide
CID 26561486
N-[4-(butylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 2186552
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 55846957
N-(1,3-benzodioxol-5-yl)-3-[(4-ethylphenyl)sulfonylamino]propanamide
CID 110370654
N-[4-(3-ethoxypropylsulfamoyl)phenyl]-3,3-diphenylpropanamide
CID 2972348

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide (CID 17310311) is 2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide is CCOCCCNS(=O)(=O)c1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide?
The InChIKey is LJDOWXFCQPUPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S/c1-2-26-11-3-10-21-30(24,25)17-7-4-15(5-8-17)22-20(23)13-27-16-6-9-18-19(12-16)29-14-28-18/h4-9,12,21H,2-3,10-11,13-14H2,1H3,(H,22,23).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide has a molecular weight of 436.49 g/mol, XLogP of 2.14, 11 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-[4-(3-ethoxypropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17310311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).