2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide

C16H15F3N2O4S — CID 69382214

IUPAC2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)COc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C16H15F3N2O4S/c1-26(23,24)21-15-5-2-10(6-14(15)19)8-20-16(22)9-25-11-3-4-12(17)13(18)7-11/h2-7,21H,8-9H2,1H3,(H,20,22)
InChIKeyZCJXIBUMFGWGNT-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.17
Rot. Bonds7

About 2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide

2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide (PubChem CID 69382214) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
PubChem CID69382214
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC Name2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)COc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C16H15F3N2O4S/c1-26(23,24)21-15-5-2-10(6-14(15)19)8-20-16(22)9-25-11-3-4-12(17)13(18)7-11/h2-7,21H,8-9H2,1H3,(H,20,22)
InChIKeyZCJXIBUMFGWGNT-UHFFFAOYSA-N
XLogP2.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide (CID 69382214) is 2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide is CS(=O)(=O)Nc1ccc(CNC(=O)COc2ccc(F)c(F)c2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
The InChIKey is ZCJXIBUMFGWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-26(23,24)21-15-5-2-10(6-14(15)19)8-20-16(22)9-25-11-3-4-12(17)13(18)7-11/h2-7,21H,8-9H2,1H3,(H,20,22).
What are the key properties of 2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide?
2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide has a molecular weight of 388.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide is sourced from PubChem (CID 69382214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).