N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C15H20F3N3OS — CID 46518629

IUPACN-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C15H20F3N3OS/c1-2-21(11-6-4-3-5-7-11)13(22)10-23-14-19-9-8-12(20-14)15(16,17)18/h8-9,11H,2-7,10H2,1H3
InChIKeyWZQRNWFFFWLYNW-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.77
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 46518629) has the molecular formula C15H20F3N3OS and a molecular weight of 347.41 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID46518629
Molecular FormulaC15H20F3N3OS
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC NameN-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C15H20F3N3OS/c1-2-21(11-6-4-3-5-7-11)13(22)10-23-14-19-9-8-12(20-14)15(16,17)18/h8-9,11H,2-7,10H2,1H3
InChIKeyWZQRNWFFFWLYNW-UHFFFAOYSA-N
XLogP3.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 46518629) is N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is CCN(C(=O)CSc1nccc(C(F)(F)F)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is WZQRNWFFFWLYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3OS/c1-2-21(11-6-4-3-5-7-11)13(22)10-23-14-19-9-8-12(20-14)15(16,17)18/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 347.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 46518629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).