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

C14H18F3N3OS — CID 46540423

IUPACN-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCN(C(=O)CSc1nccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C14H18F3N3OS/c1-20(10-5-3-2-4-6-10)12(21)9-22-13-18-8-7-11(19-13)14(15,16)17/h7-8,10H,2-6,9H2,1H3
InChIKeyWMEKVIJWRORSBZ-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.38
Rot. Bonds4

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

N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 46540423) has the molecular formula C14H18F3N3OS and a molecular weight of 333.38 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID46540423
Molecular FormulaC14H18F3N3OS
Molecular Weight333.38 g/mol
Exact Mass333.11
IUPAC NameN-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCN(C(=O)CSc1nccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C14H18F3N3OS/c1-20(10-5-3-2-4-6-10)12(21)9-22-13-18-8-7-11(19-13)14(15,16)17/h7-8,10H,2-6,9H2,1H3
InChIKeyWMEKVIJWRORSBZ-UHFFFAOYSA-N
XLogP3.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 46540423) is N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is CN(C(=O)CSc1nccc(C(F)(F)F)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is WMEKVIJWRORSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3OS/c1-20(10-5-3-2-4-6-10)12(21)9-22-13-18-8-7-11(19-13)14(15,16)17/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 333.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 46540423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).