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

C13H16F3N3OS — CID 19585391

IUPACN-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccc(C(F)(F)F)n1)NC1CCCCC1
InChIInChI=1S/C13H16F3N3OS/c14-13(15,16)10-6-7-17-12(19-10)21-8-11(20)18-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,20)
InChIKeyDSBJGJKFPICNEE-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.04
Rot. Bonds4

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

N-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 19585391) has the molecular formula C13H16F3N3OS and a molecular weight of 319.35 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID19585391
Molecular FormulaC13H16F3N3OS
Molecular Weight319.35 g/mol
Exact Mass319.10
IUPAC NameN-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccc(C(F)(F)F)n1)NC1CCCCC1
InChIInChI=1S/C13H16F3N3OS/c14-13(15,16)10-6-7-17-12(19-10)21-8-11(20)18-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,20)
InChIKeyDSBJGJKFPICNEE-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.04
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-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 19585391) is N-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is O=C(CSc1nccc(C(F)(F)F)n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is DSBJGJKFPICNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3OS/c14-13(15,16)10-6-7-17-12(19-10)21-8-11(20)18-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,20).
What are the key properties of N-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-cyclohexyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 319.35 g/mol, XLogP of 3.04, 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-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 19585391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).