2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide

C22H18ClF3N2O3S — CID 22585177

IUPAC2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H18ClF3N2O3S/c1-30-20-11-27-15(13-32-16-8-6-14(23)7-9-16)10-19(20)31-12-21(29)28-18-5-3-2-4-17(18)22(24,25)26/h2-11H,12-13H2,1H3,(H,28,29)
InChIKeyUABKPCVTQGZATE-UHFFFAOYSA-N
MW482.91 g/mol
LogP6.07
Rot. Bonds8

About 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 22585177) has the molecular formula C22H18ClF3N2O3S and a molecular weight of 482.91 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID22585177
Molecular FormulaC22H18ClF3N2O3S
Molecular Weight482.91 g/mol
Exact Mass482.07
IUPAC Name2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H18ClF3N2O3S/c1-30-20-11-27-15(13-32-16-8-6-14(23)7-9-16)10-19(20)31-12-21(29)28-18-5-3-2-4-17(18)22(24,25)26/h2-11H,12-13H2,1H3,(H,28,29)
InChIKeyUABKPCVTQGZATE-UHFFFAOYSA-N
XLogP6.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.91
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585203
2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide
CID 22585199
2-[[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585093
N-(3-fluorophenyl)-2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585220
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 35577296
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
CID 22584964
N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112828407
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
3,4-dimethoxy-N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 23099064
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 22585177) is 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UABKPCVTQGZATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O3S/c1-30-20-11-27-15(13-32-16-8-6-14(23)7-9-16)10-19(20)31-12-21(29)28-18-5-3-2-4-17(18)22(24,25)26/h2-11H,12-13H2,1H3,(H,28,29).
What are the key properties of 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 482.91 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22585177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).