2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide

C15H17F4NOS — CID 162647232

IUPAC2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1ccc(F)c(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C15H17F4NOS/c16-12-6-5-9(7-11(12)15(17,18)19)8-22-13(14(20)21)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,20,21)
InChIKeyOIPNEOANWOYWGA-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.12
Rot. Bonds5

About 2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide

2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide (PubChem CID 162647232) has the molecular formula C15H17F4NOS and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
PubChem CID162647232
Molecular FormulaC15H17F4NOS
Molecular Weight335.37 g/mol
Exact Mass335.10
IUPAC Name2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1ccc(F)c(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C15H17F4NOS/c16-12-6-5-9(7-11(12)15(17,18)19)8-22-13(14(20)21)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,20,21)
InChIKeyOIPNEOANWOYWGA-UHFFFAOYSA-N
XLogP4.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide (CID 162647232) is 2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide is NC(=O)C(SCc1ccc(F)c(C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The InChIKey is OIPNEOANWOYWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NOS/c16-12-6-5-9(7-11(12)15(17,18)19)8-22-13(14(20)21)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,20,21).
What are the key properties of 2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 162647232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).