N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C15H14F3N3OS — CID 134026438

IUPACN-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C15H14F3N3OS/c1-9-5-10(2)7-11(6-9)20-13(22)8-23-14-19-4-3-12(21-14)15(16,17)18/h3-7H,8H2,1-2H3,(H,20,22)
InChIKeyBMASFWWIOPUCKS-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.84
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 134026438) has the molecular formula C15H14F3N3OS and a molecular weight of 341.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID134026438
Molecular FormulaC15H14F3N3OS
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C15H14F3N3OS/c1-9-5-10(2)7-11(6-9)20-13(22)8-23-14-19-4-3-12(21-14)15(16,17)18/h3-7H,8H2,1-2H3,(H,20,22)
InChIKeyBMASFWWIOPUCKS-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17024194
N-(3,5-dimethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 1140912
N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 24634175
N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 46519126
N-(3-methylbutan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 46518668
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18284884
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158479
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 134026450
N-benzyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158484
N-propan-2-yl-2-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzamide
CID 36991749
N-(4-iodophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 21383049
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 134026438) is N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1cc(C)cc(NC(=O)CSc2nccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is BMASFWWIOPUCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3OS/c1-9-5-10(2)7-11(6-9)20-13(22)8-23-14-19-4-3-12(21-14)15(16,17)18/h3-7H,8H2,1-2H3,(H,20,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 341.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 134026438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).