2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide

C17H18N2O7S — CID 112999264

IUPAC2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C17H18N2O7S/c1-23-11-3-5-13(15(7-11)24-2)19-17(20)9-18-27(21,22)12-4-6-14-16(8-12)26-10-25-14/h3-8,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyOYZDWJNYBBUCGB-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.35
Rot. Bonds7

About 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide

2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 112999264) has the molecular formula C17H18N2O7S and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID112999264
Molecular FormulaC17H18N2O7S
Molecular Weight394.41 g/mol
Exact Mass394.08
IUPAC Name2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C17H18N2O7S/c1-23-11-3-5-13(15(7-11)24-2)19-17(20)9-18-27(21,22)12-4-6-14-16(8-12)26-10-25-14/h3-8,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyOYZDWJNYBBUCGB-UHFFFAOYSA-N
XLogP1.35
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-methoxyphenyl)acetamide
CID 112998596
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 112999269
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
methyl 4-[[2-(1,3-benzodioxol-5-ylsulfonylamino)acetyl]amino]benzoate
CID 112999981
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 17447496
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3572885
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112999196
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 112999206
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide (CID 112999264) is 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCO3)c(OC)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is OYZDWJNYBBUCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O7S/c1-23-11-3-5-13(15(7-11)24-2)19-17(20)9-18-27(21,22)12-4-6-14-16(8-12)26-10-25-14/h3-8,18H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide?
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 394.41 g/mol, XLogP of 1.35, 7 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-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 112999264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).