2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

C18H18F3N3O2S — CID 42883921

IUPAC2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)c1c(C)nc(C)nc1SC(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2S/c1-9-15(10(2)25)17(23-12(4)22-9)27-11(3)16(26)24-14-8-6-5-7-13(14)18(19,20)21/h5-8,11H,1-4H3,(H,24,26)
InChIKeyUDEKVSINUKJVCP-UHFFFAOYSA-N
MW397.42 g/mol
LogP4.43
Rot. Bonds5

About 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 42883921) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID42883921
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC Name2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)c1c(C)nc(C)nc1SC(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2S/c1-9-15(10(2)25)17(23-12(4)22-9)27-11(3)16(26)24-14-8-6-5-7-13(14)18(19,20)21/h5-8,11H,1-4H3,(H,24,26)
InChIKeyUDEKVSINUKJVCP-UHFFFAOYSA-N
XLogP4.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 42883471
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42353218
(2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 25474370
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8985827
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8936507
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7743440
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
(2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 33228420
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8952780
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42944892
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24630975

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 42883921) is 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is CC(=O)c1c(C)nc(C)nc1SC(C)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UDEKVSINUKJVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c1-9-15(10(2)25)17(23-12(4)22-9)27-11(3)16(26)24-14-8-6-5-7-13(14)18(19,20)21/h5-8,11H,1-4H3,(H,24,26).
What are the key properties of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 397.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42883921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).