N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide

C18H20N2O6S — CID 113071655

IUPACN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O6S/c1-27(22,23)20(14-7-8-16-17(11-14)26-13-25-16)10-9-19-18(21)12-24-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)
InChIKeyVXFUFAAWBZGRDS-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.38
Rot. Bonds8

About N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide

N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide (PubChem CID 113071655) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
PubChem CID113071655
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H20N2O6S/c1-27(22,23)20(14-7-8-16-17(11-14)26-13-25-16)10-9-19-18(21)12-24-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)
InChIKeyVXFUFAAWBZGRDS-UHFFFAOYSA-N
XLogP1.38
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
CID 113071299
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide
CID 113071629
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
CID 113071641
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113071662
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113071835
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
CID 2219429
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30248576
3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113146189

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide (CID 113071655) is N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide is CS(=O)(=O)N(CCNC(=O)COc1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide?
The InChIKey is VXFUFAAWBZGRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-27(22,23)20(14-7-8-16-17(11-14)26-13-25-16)10-9-19-18(21)12-24-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide?
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide has a molecular weight of 392.43 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113071655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).