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

C15H18F3NOS — CID 162672024

IUPAC2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1cccc(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C15H18F3NOS/c16-15(17,18)12-7-3-4-10(8-12)9-21-13(14(19)20)11-5-1-2-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H2,19,20)
InChIKeyVJIRRQNRJLWXLL-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.98
Rot. Bonds5

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

2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide (PubChem CID 162672024) has the molecular formula C15H18F3NOS and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
PubChem CID162672024
Molecular FormulaC15H18F3NOS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1cccc(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C15H18F3NOS/c16-15(17,18)12-7-3-4-10(8-12)9-21-13(14(19)20)11-5-1-2-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H2,19,20)
InChIKeyVJIRRQNRJLWXLL-UHFFFAOYSA-N
XLogP3.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide (CID 162672024) is 2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide is NC(=O)C(SCc1cccc(C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
The InChIKey is VJIRRQNRJLWXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NOS/c16-15(17,18)12-7-3-4-10(8-12)9-21-13(14(19)20)11-5-1-2-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H2,19,20).
What are the key properties of 2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide?
2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide has a molecular weight of 317.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 162672024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).