N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C20H16F3N3O2S — CID 55520817

IUPACN-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1cccc(NC(=O)C(Sc2nccc(C(F)(F)F)n2)c2ccccc2)c1
InChIInChI=1S/C20H16F3N3O2S/c1-28-15-9-5-8-14(12-15)25-18(27)17(13-6-3-2-4-7-13)29-19-24-11-10-16(26-19)20(21,22)23/h2-12,17H,1H3,(H,25,27)
InChIKeyLEGFKRDQUMXYTJ-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.98
Rot. Bonds6

About N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 55520817) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID55520817
Molecular FormulaC20H16F3N3O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC NameN-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1cccc(NC(=O)C(Sc2nccc(C(F)(F)F)n2)c2ccccc2)c1
InChIInChI=1S/C20H16F3N3O2S/c1-28-15-9-5-8-14(12-15)25-18(27)17(13-6-3-2-4-7-13)29-19-24-11-10-16(26-19)20(21,22)23/h2-12,17H,1H3,(H,25,27)
InChIKeyLEGFKRDQUMXYTJ-UHFFFAOYSA-N
XLogP4.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 86207793
N-(3-methoxyphenyl)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 55516050
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 7755983
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N,2-diphenylacetamide
CID 18285524
N-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 5110828
(2S)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 41102941
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 9272755
3-methoxy-N-[4-[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 21168732
(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide
CID 41152724
N-(3-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 15945250
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
2-(3-acetamidophenyl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 18901188

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 55520817) is N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is COc1cccc(NC(=O)C(Sc2nccc(C(F)(F)F)n2)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is LEGFKRDQUMXYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c1-28-15-9-5-8-14(12-15)25-18(27)17(13-6-3-2-4-7-13)29-19-24-11-10-16(26-19)20(21,22)23/h2-12,17H,1H3,(H,25,27).
What are the key properties of N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 419.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 55520817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).