N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide

C27H21F2NO2S — CID 123822037

IUPACN-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3cccc(F)c3)c2)cc1
InChIInChI=1S/C27H21F2NO2S/c1-33-24-11-8-18(9-12-24)14-27(31)30-22-10-13-25(19-4-2-5-20(28)15-19)26(17-22)32-23-7-3-6-21(29)16-23/h2-13,15-17H,14H2,1H3,(H,30,31)
InChIKeyKVFZLXJCMSEONE-UHFFFAOYSA-N
MW461.53 g/mol
LogP7.33
Rot. Bonds7

About N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide

N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 123822037) has the molecular formula C27H21F2NO2S and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
PubChem CID123822037
Molecular FormulaC27H21F2NO2S
Molecular Weight461.53 g/mol
Exact Mass461.13
IUPAC NameN-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3cccc(F)c3)c2)cc1
InChIInChI=1S/C27H21F2NO2S/c1-33-24-11-8-18(9-12-24)14-27(31)30-22-10-13-25(19-4-2-5-20(28)15-19)26(17-22)32-23-7-3-6-21(29)16-23/h2-13,15-17H,14H2,1H3,(H,30,31)
InChIKeyKVFZLXJCMSEONE-UHFFFAOYSA-N
XLogP7.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 123702204
2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide
CID 123858744
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]acetamide
CID 72548784
2-(4-ethylsulfanylphenyl)-N-[3-(3-fluorophenoxy)-4-(2-fluoro-4-pyridinyl)phenyl]acetamide
CID 123900194
N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72544314
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
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
2-(4-ethylsulfanylphenyl)-N-[4-(6-fluoro-3-pyridinyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]acetamide
CID 123638254
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
N-[3-(3-fluorophenoxy)-4-(3-iminobutylideneamino)phenyl]-2-[4-(methylaminosulfanyl)phenyl]acetamide
CID 123567826
N-(3-fluorophenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045424

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide (CID 123822037) is N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)Nc2ccc(-c3cccc(F)c3)c(Oc3cccc(F)c3)c2)cc1.
What is the InChIKey of N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is KVFZLXJCMSEONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2NO2S/c1-33-24-11-8-18(9-12-24)14-27(31)30-22-10-13-25(19-4-2-5-20(28)15-19)26(17-22)32-23-7-3-6-21(29)16-23/h2-13,15-17H,14H2,1H3,(H,30,31).
What are the key properties of N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide?
N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 461.53 g/mol, XLogP of 7.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 123822037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).