N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide

C27H21F3N2O4S — CID 72544314

IUPACN-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C27H21F3N2O4S/c1-31-37(34,35)22-9-5-17(6-10-22)13-27(33)32-20-7-11-23(18-3-2-4-19(28)14-18)26(15-20)36-21-8-12-24(29)25(30)16-21/h2-12,14-16,31H,13H2,1H3,(H,32,33)
InChIKeyIFNDDBTWYLFCFL-UHFFFAOYSA-N
MW526.54 g/mol
LogP5.65
Rot. Bonds8

About N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide

N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide (PubChem CID 72544314) has the molecular formula C27H21F3N2O4S and a molecular weight of 526.54 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
PubChem CID72544314
Molecular FormulaC27H21F3N2O4S
Molecular Weight526.54 g/mol
Exact Mass526.12
IUPAC NameN-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C27H21F3N2O4S/c1-31-37(34,35)22-9-5-17(6-10-22)13-27(33)32-20-7-11-23(18-3-2-4-19(28)14-18)26(15-20)36-21-8-12-24(29)25(30)16-21/h2-12,14-16,31H,13H2,1H3,(H,32,33)
InChIKeyIFNDDBTWYLFCFL-UHFFFAOYSA-N
XLogP5.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.54
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72543770
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
2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide
CID 123858744
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72544310
N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 123702204
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
N-[4-(3-fluorophenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 52706285
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 72548310
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide (CID 72544314) is N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3ccc(F)c(F)c3)c2)cc1.
What is the InChIKey of N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is IFNDDBTWYLFCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N2O4S/c1-31-37(34,35)22-9-5-17(6-10-22)13-27(33)32-20-7-11-23(18-3-2-4-19(28)14-18)26(15-20)36-21-8-12-24(29)25(30)16-21/h2-12,14-16,31H,13H2,1H3,(H,32,33).
What are the key properties of N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide?
N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 526.54 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 72544314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).