2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide

C19H19FN2O6S — CID 69381054

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
SMILESC=Cc1cc(CNC(=O)COc2ccc3c(c2)OCO3)cc(F)c1NS(C)(=O)=O
InChIInChI=1S/C19H19FN2O6S/c1-3-13-6-12(7-15(20)19(13)22-29(2,24)25)9-21-18(23)10-26-14-4-5-16-17(8-14)28-11-27-16/h3-8,22H,1,9-11H2,2H3,(H,21,23)
InChIKeyDMCSQGCFHZQIFI-UHFFFAOYSA-N
MW422.43 g/mol
LogP2.26
Rot. Bonds8

About 2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide

2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide (PubChem CID 69381054) has the molecular formula C19H19FN2O6S and a molecular weight of 422.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
PubChem CID69381054
Molecular FormulaC19H19FN2O6S
Molecular Weight422.43 g/mol
Exact Mass422.09
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
SMILESC=Cc1cc(CNC(=O)COc2ccc3c(c2)OCO3)cc(F)c1NS(C)(=O)=O
InChIInChI=1S/C19H19FN2O6S/c1-3-13-6-12(7-15(20)19(13)22-29(2,24)25)9-21-18(23)10-26-14-4-5-16-17(8-14)28-11-27-16/h3-8,22H,1,9-11H2,2H3,(H,21,23)
InChIKeyDMCSQGCFHZQIFI-UHFFFAOYSA-N
XLogP2.26
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
CID 3163479
2-[(4,4-dimethyl-2,3-dihydrochromen-7-yl)oxy]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 21097453
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 2207036
2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen
CID 171659187
2-(1,3-benzodioxol-5-yloxy)-N-(ethoxymethyl)acetamide;molecular hydrogen
CID 171659175
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
2-(1,3-benzodioxol-5-yloxy)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262846
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 1241923
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1252193

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide (CID 69381054) is 2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide is C=Cc1cc(CNC(=O)COc2ccc3c(c2)OCO3)cc(F)c1NS(C)(=O)=O.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The InChIKey is DMCSQGCFHZQIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O6S/c1-3-13-6-12(7-15(20)19(13)22-29(2,24)25)9-21-18(23)10-26-14-4-5-16-17(8-14)28-11-27-16/h3-8,22H,1,9-11H2,2H3,(H,21,23).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide has a molecular weight of 422.43 g/mol, XLogP of 2.26, 8 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-yloxy)-N-[[3-ethenyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide is sourced from PubChem (CID 69381054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).