N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide

C15H19F3N2OS — CID 75370139

IUPACN-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1ccc(N(C(=O)CSC(F)(F)F)C2CCCCC2)nc1
InChIInChI=1S/C15H19F3N2OS/c1-11-7-8-13(19-9-11)20(12-5-3-2-4-6-12)14(21)10-22-15(16,17)18/h7-9,12H,2-6,10H2,1H3
InChIKeyFRXHSSAEEODLQY-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.31
Rot. Bonds4

About N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide

N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 75370139) has the molecular formula C15H19F3N2OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID75370139
Molecular FormulaC15H19F3N2OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC NameN-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1ccc(N(C(=O)CSC(F)(F)F)C2CCCCC2)nc1
InChIInChI=1S/C15H19F3N2OS/c1-11-7-8-13(19-9-11)20(12-5-3-2-4-6-12)14(21)10-22-15(16,17)18/h7-9,12H,2-6,10H2,1H3
InChIKeyFRXHSSAEEODLQY-UHFFFAOYSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide (CID 75370139) is N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide is Cc1ccc(N(C(=O)CSC(F)(F)F)C2CCCCC2)nc1.
What is the InChIKey of N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is FRXHSSAEEODLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2OS/c1-11-7-8-13(19-9-11)20(12-5-3-2-4-6-12)14(21)10-22-15(16,17)18/h7-9,12H,2-6,10H2,1H3.
What are the key properties of N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide?
N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 332.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 75370139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).