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

C14H18F3N3OS — CID 18158485

IUPACN-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccc(C(F)(F)F)n1)NCC1CCCCC1
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)11-6-7-18-13(20-11)22-9-12(21)19-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,19,21)
InChIKeyHSKPQXREMGOSDW-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.28
Rot. Bonds5

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

N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 18158485) has the molecular formula C14H18F3N3OS and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID18158485
Molecular FormulaC14H18F3N3OS
Molecular Weight333.38 g/mol
Exact Mass333.11
IUPAC NameN-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccc(C(F)(F)F)n1)NCC1CCCCC1
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)11-6-7-18-13(20-11)22-9-12(21)19-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,19,21)
InChIKeyHSKPQXREMGOSDW-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 18158485) is N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is O=C(CSc1nccc(C(F)(F)F)n1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is HSKPQXREMGOSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3OS/c15-14(16,17)11-6-7-18-13(20-11)22-9-12(21)19-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,19,21).
What are the key properties of N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 333.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18158485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).