2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide

C20H24N2O6S — CID 19260303

IUPAC2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O6S/c1-15-5-3-4-6-17(15)22(14-20(23)21-9-10-26-2)29(24,25)16-7-8-18-19(13-16)28-12-11-27-18/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyVIDXDFSGCCHIQR-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.72
Rot. Bonds8

About 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide

2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide (PubChem CID 19260303) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide
PubChem CID19260303
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O6S/c1-15-5-3-4-6-17(15)22(14-20(23)21-9-10-26-2)29(24,25)16-7-8-18-19(13-16)28-12-11-27-18/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyVIDXDFSGCCHIQR-UHFFFAOYSA-N
XLogP1.72
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-propan-2-ylacetamide
CID 19260268
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(3-methoxypropyl)acetamide
CID 2968171
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 30170482
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2-methoxyethyl)acetamide
CID 113156555
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30210898
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide
CID 3139242
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30244929
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133164984
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126033961
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(2-methylphenyl)acetamide
CID 1075546
N-[3-(2-methoxyethoxy)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55408036
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 133164973

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide (CID 19260303) is 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VIDXDFSGCCHIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-15-5-3-4-6-17(15)22(14-20(23)21-9-10-26-2)29(24,25)16-7-8-18-19(13-16)28-12-11-27-18/h3-8,13H,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide?
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylanilino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 19260303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).