N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide

C28H22F4N2O5S — CID 72543770

IUPACN-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3cccc(OC(F)(F)F)c3)c2)cc1
InChIInChI=1S/C28H22F4N2O5S/c1-33-40(36,37)24-11-8-18(9-12-24)14-27(35)34-21-10-13-25(19-4-2-5-20(29)15-19)26(16-21)38-22-6-3-7-23(17-22)39-28(30,31)32/h2-13,15-17,33H,14H2,1H3,(H,34,35)
InChIKeyFLNLYZLNCDJYMJ-UHFFFAOYSA-N
MW574.55 g/mol
LogP6.27
Rot. Bonds9

About N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide

N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide (PubChem CID 72543770) has the molecular formula C28H22F4N2O5S and a molecular weight of 574.55 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
PubChem CID72543770
Molecular FormulaC28H22F4N2O5S
Molecular Weight574.55 g/mol
Exact Mass574.12
IUPAC NameN-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3cccc(OC(F)(F)F)c3)c2)cc1
InChIInChI=1S/C28H22F4N2O5S/c1-33-40(36,37)24-11-8-18(9-12-24)14-27(35)34-21-10-13-25(19-4-2-5-20(29)15-19)26(16-21)38-22-6-3-7-23(17-22)39-28(30,31)32/h2-13,15-17,33H,14H2,1H3,(H,34,35)
InChIKeyFLNLYZLNCDJYMJ-UHFFFAOYSA-N
XLogP6.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.55
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72544314
N-[3-(3-cyanophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72544539
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]acetamide
CID 72548784
N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
CID 123822037
N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 123702204
2-(4-ethylsulfanylphenyl)-N-[4-(6-fluoro-3-pyridinyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]acetamide
CID 123638254
2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide
CID 123858744
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 72548310
N-[4-(3-fluorophenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 52706285
N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72544310
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide (CID 72543770) is N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3cccc(OC(F)(F)F)c3)c2)cc1.
What is the InChIKey of N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is FLNLYZLNCDJYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F4N2O5S/c1-33-40(36,37)24-11-8-18(9-12-24)14-27(35)34-21-10-13-25(19-4-2-5-20(29)15-19)26(16-21)38-22-6-3-7-23(17-22)39-28(30,31)32/h2-13,15-17,33H,14H2,1H3,(H,34,35).
What are the key properties of N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide?
N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 574.55 g/mol, XLogP of 6.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 72543770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).