2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide

C27H24F3N3O2S — CID 123437570

IUPAC2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(-n3ccnc3C)c(Oc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C27H24F3N3O2S/c1-3-36-23-10-7-19(8-11-23)15-26(34)32-21-9-12-24(33-14-13-31-18(33)2)25(17-21)35-22-6-4-5-20(16-22)27(28,29)30/h4-14,16-17H,3,15H2,1-2H3,(H,32,34)
InChIKeyBFLZHMHTEKUXAM-UHFFFAOYSA-N
MW511.57 g/mol
LogP7.29
Rot. Bonds8

About 2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide

2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide (PubChem CID 123437570) has the molecular formula C27H24F3N3O2S and a molecular weight of 511.57 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
PubChem CID123437570
Molecular FormulaC27H24F3N3O2S
Molecular Weight511.57 g/mol
Exact Mass511.15
IUPAC Name2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(-n3ccnc3C)c(Oc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C27H24F3N3O2S/c1-3-36-23-10-7-19(8-11-23)15-26(34)32-21-9-12-24(33-14-13-31-18(33)2)25(17-21)35-22-6-4-5-20(16-22)27(28,29)30/h4-14,16-17H,3,15H2,1-2H3,(H,32,34)
InChIKeyBFLZHMHTEKUXAM-UHFFFAOYSA-N
XLogP7.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.57
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylsulfanylphenyl)-N-[4-(6-fluoro-3-pyridinyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]acetamide
CID 123638254
2-(4-ethylsulfanylphenyl)-N-[3-(3-fluorophenoxy)-4-(2-fluoro-4-pyridinyl)phenyl]acetamide
CID 123900194
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 72548310
2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide
CID 123858744
N-(3-pyrimidin-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39261092
2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide
CID 144539996
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]acetamide
CID 35364913
N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 123702204
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122306588
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145232176

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide (CID 123437570) is 2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide is CCSc1ccc(CC(=O)Nc2ccc(-n3ccnc3C)c(Oc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
The InChIKey is BFLZHMHTEKUXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O2S/c1-3-36-23-10-7-19(8-11-23)15-26(34)32-21-9-12-24(33-14-13-31-18(33)2)25(17-21)35-22-6-4-5-20(16-22)27(28,29)30/h4-14,16-17H,3,15H2,1-2H3,(H,32,34).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide has a molecular weight of 511.57 g/mol, XLogP of 7.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-[4-(2-methylimidazol-1-yl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide is sourced from PubChem (CID 123437570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).