2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide

C17H18N2O6S — CID 22300192

IUPAC2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H18N2O6S/c1-23-14-5-3-13(4-6-14)19-17(20)9-18-26(21,22)10-12-2-7-15-16(8-12)25-11-24-15/h2-8,18H,9-11H2,1H3,(H,19,20)
InChIKeyXHCNBXFWGIWKCM-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.48
Rot. Bonds7

About 2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide

2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide (PubChem CID 22300192) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide
PubChem CID22300192
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H18N2O6S/c1-23-14-5-3-13(4-6-14)19-17(20)9-18-26(21,22)10-12-2-7-15-16(8-12)25-11-24-15/h2-8,18H,9-11H2,1H3,(H,19,20)
InChIKeyXHCNBXFWGIWKCM-UHFFFAOYSA-N
XLogP1.48
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide
CID 4037055
3-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113120117
N-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110370513
2-(1,3-benzodioxol-5-yl)-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122287056
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(4-methoxyphenyl)urea
CID 1061580
methyl 4-[[2-(1,3-benzodioxol-5-ylsulfonylamino)acetyl]amino]benzoate
CID 112999981
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 108998752
6-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370528
2-(1,3-benzodioxol-5-yloxy)-N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]acetamide
CID 91954213

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide (CID 22300192) is 2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNS(=O)(=O)Cc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide?
The InChIKey is XHCNBXFWGIWKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-23-14-5-3-13(4-6-14)19-17(20)9-18-26(21,22)10-12-2-7-15-16(8-12)25-11-24-15/h2-8,18H,9-11H2,1H3,(H,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide?
2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide has a molecular weight of 378.41 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 22300192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).