N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C14H18F3N3OS — CID 2979066

IUPACN-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H18F3N3OS/c1-9-7-11(14(15,16)17)20-13(18-9)22-8-12(21)19-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,19,21)
InChIKeyMKPMPYBIDHWYKR-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.34
Rot. Bonds4

About N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 2979066) has the molecular formula C14H18F3N3OS and a molecular weight of 333.38 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID2979066
Molecular FormulaC14H18F3N3OS
Molecular Weight333.38 g/mol
Exact Mass333.11
IUPAC NameN-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H18F3N3OS/c1-9-7-11(14(15,16)17)20-13(18-9)22-8-12(21)19-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,19,21)
InChIKeyMKPMPYBIDHWYKR-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 2979066) is N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1cc(C(F)(F)F)nc(SCC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is MKPMPYBIDHWYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3OS/c1-9-7-11(14(15,16)17)20-13(18-9)22-8-12(21)19-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 333.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2979066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).