2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide

C14H12F3N3OS — CID 2225054

IUPAC2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H12F3N3OS/c1-9-7-11(14(15,16)17)20-13(18-9)22-8-12(21)19-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,19,21)
InChIKeyPVUZIVXBZPCVAD-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.53
Rot. Bonds4

About 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide

2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 2225054) has the molecular formula C14H12F3N3OS and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide
PubChem CID2225054
Molecular FormulaC14H12F3N3OS
Molecular Weight327.33 g/mol
Exact Mass327.07
IUPAC Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H12F3N3OS/c1-9-7-11(14(15,16)17)20-13(18-9)22-8-12(21)19-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,19,21)
InChIKeyPVUZIVXBZPCVAD-UHFFFAOYSA-N
XLogP3.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide (CID 2225054) is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide is Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is PVUZIVXBZPCVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3OS/c1-9-7-11(14(15,16)17)20-13(18-9)22-8-12(21)19-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 327.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 2225054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).