2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C19H14F3N3OS — CID 16876411

IUPAC2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1cc(-c2ccccc2)ncn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F3N3OS/c20-19(21,22)14-8-4-5-9-15(14)25-17(26)11-27-18-10-16(23-12-24-18)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,25,26)
InChIKeyMCQOWAKHAOHEDN-UHFFFAOYSA-N
MW389.40 g/mol
LogP4.89
Rot. Bonds5

About 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 16876411) has the molecular formula C19H14F3N3OS and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID16876411
Molecular FormulaC19H14F3N3OS
Molecular Weight389.40 g/mol
Exact Mass389.08
IUPAC Name2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1cc(-c2ccccc2)ncn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F3N3OS/c20-19(21,22)14-8-4-5-9-15(14)25-17(26)11-27-18-10-16(23-12-24-18)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,25,26)
InChIKeyMCQOWAKHAOHEDN-UHFFFAOYSA-N
XLogP4.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876410
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134003648
2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 704548
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18562261
2-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3387678
2-[[4-methyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19727349
2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3227996
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53334301
2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19727494
2-(4-phenylphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26087747
2-(thiatriazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43815706

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 16876411) is 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1cc(-c2ccccc2)ncn1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MCQOWAKHAOHEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3OS/c20-19(21,22)14-8-4-5-9-15(14)25-17(26)11-27-18-10-16(23-12-24-18)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,25,26).
What are the key properties of 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 389.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16876411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).