N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide

C20H18ClF3N4O3S — CID 22584964

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
SMILESCOc1cnc(CSc2nccn2C)cc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C20H18ClF3N4O3S/c1-28-6-5-25-19(28)32-11-13-8-16(17(30-2)9-26-13)31-10-18(29)27-15-7-12(20(22,23)24)3-4-14(15)21/h3-9H,10-11H2,1-2H3,(H,27,29)
InChIKeySXQRXMDUUPMZFL-UHFFFAOYSA-N
MW486.90 g/mol
LogP4.81
Rot. Bonds8

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide (PubChem CID 22584964) has the molecular formula C20H18ClF3N4O3S and a molecular weight of 486.90 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
PubChem CID22584964
Molecular FormulaC20H18ClF3N4O3S
Molecular Weight486.90 g/mol
Exact Mass486.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide
SMILESCOc1cnc(CSc2nccn2C)cc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C20H18ClF3N4O3S/c1-28-6-5-25-19(28)32-11-13-8-16(17(30-2)9-26-13)31-10-18(29)27-15-7-12(20(22,23)24)3-4-14(15)21/h3-9H,10-11H2,1-2H3,(H,27,29)
InChIKeySXQRXMDUUPMZFL-UHFFFAOYSA-N
XLogP4.81
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5223295
2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585177
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252185
2-[[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585203
2-[[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22585093
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 5183580
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443667
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclohexylimidazol-2-yl)sulfanylacetamide
CID 22585470
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
2-[[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]-N-(2-ethoxyphenyl)acetamide
CID 22585199
2-[[5-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-pyridinyl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 22584956
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 43985351

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide (CID 22584964) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide is COc1cnc(CSc2nccn2C)cc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
The InChIKey is SXQRXMDUUPMZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O3S/c1-28-6-5-25-19(28)32-11-13-8-16(17(30-2)9-26-13)31-10-18(29)27-15-7-12(20(22,23)24)3-4-14(15)21/h3-9H,10-11H2,1-2H3,(H,27,29).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide has a molecular weight of 486.90 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-pyridinyl]oxy]acetamide is sourced from PubChem (CID 22584964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).