2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H14F3N3O3S — CID 53130118

IUPAC2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nccnc1Oc1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3O3S/c20-19(21,22)28-15-8-6-13(7-9-15)25-16(26)12-29-18-17(23-10-11-24-18)27-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,26)
InChIKeyISBOEEUKTWQPOF-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.90
Rot. Bonds7

About 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 53130118) has the molecular formula C19H14F3N3O3S and a molecular weight of 421.40 g/mol. Its IUPAC name is 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID53130118
Molecular FormulaC19H14F3N3O3S
Molecular Weight421.40 g/mol
Exact Mass421.07
IUPAC Name2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nccnc1Oc1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14F3N3O3S/c20-19(21,22)28-15-8-6-13(7-9-15)25-16(26)12-29-18-17(23-10-11-24-18)27-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,26)
InChIKeyISBOEEUKTWQPOF-UHFFFAOYSA-N
XLogP4.90
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130093
2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 2371854
N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 53130059
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3300381
N-(2-methoxyethyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130109
N-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17024194
N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 53130184
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7879323
2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71296686
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30595777
potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 72703945
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5133969

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 53130118) is 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CSc1nccnc1Oc1ccccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is ISBOEEUKTWQPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3S/c20-19(21,22)28-15-8-6-13(7-9-15)25-16(26)12-29-18-17(23-10-11-24-18)27-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,26).
What are the key properties of 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 421.40 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 53130118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).