N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide

C18H18F4N2O4S — CID 139260217

IUPACN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)COCc2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C18H18F4N2O4S/c1-29(26,27)24-16-7-6-12(8-15(16)19)9-23-17(25)11-28-10-13-4-2-3-5-14(13)18(20,21)22/h2-8,24H,9-11H2,1H3,(H,23,25)
InChIKeyKRKITORHPKRQGQ-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.05
Rot. Bonds8

About N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide

N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide (PubChem CID 139260217) has the molecular formula C18H18F4N2O4S and a molecular weight of 434.41 g/mol. Its IUPAC name is N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide
PubChem CID139260217
Molecular FormulaC18H18F4N2O4S
Molecular Weight434.41 g/mol
Exact Mass434.09
IUPAC NameN-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)COCc2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C18H18F4N2O4S/c1-29(26,27)24-16-7-6-12(8-15(16)19)9-23-17(25)11-28-10-13-4-2-3-5-14(13)18(20,21)22/h2-8,24H,9-11H2,1H3,(H,23,25)
InChIKeyKRKITORHPKRQGQ-UHFFFAOYSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide
CID 71693592
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]acetamide
CID 139260218
N-{3-fluoro-4-[(methylsulfonyl)amino]benzyl}-2-[4-(2,2,2-trifluoro-1,1-dimethylethy)phenoxy]acetamide
CID 21097515
2-(4-butan-2-ylphenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 24784946
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-(4-prop-1-en-2-ylphenoxy)acetamide
CID 24785183
2-(4-tert-butyl-2,6-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 24785185
2-[4-(1,1-difluoro-2-methylpropyl)phenoxy]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 24785436
N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-ethenyl-5-(trifluoromethyl)phenyl]-2,3-dihydrofuran-2-carboxamide
CID 68357519
N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuran-2-carboxamide
CID 68357570
2-[(2-benzyl-1,3-dioxol-4-yl)oxy]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 69381853
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 69382082
2-(3,4-difluorophenoxy)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]acetamide
CID 69382214

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide?
The IUPAC name of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide (CID 139260217) is N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide.
What is the SMILES notation for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide?
The canonical SMILES for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide is CS(=O)(=O)Nc1ccc(CNC(=O)COCc2ccccc2C(F)(F)F)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide?
The InChIKey is KRKITORHPKRQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O4S/c1-29(26,27)24-16-7-6-12(8-15(16)19)9-23-17(25)11-28-10-13-4-2-3-5-14(13)18(20,21)22/h2-8,24H,9-11H2,1H3,(H,23,25).
What are the key properties of N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide?
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide has a molecular weight of 434.41 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide is sourced from PubChem (CID 139260217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).