2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide

C16H20F3NO2S — CID 71806239

IUPAC2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
SMILESO=C(CSC1CCCC1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H20F3NO2S/c17-16(18,19)15(22,12-6-2-1-3-7-12)11-20-14(21)10-23-13-8-4-5-9-13/h1-3,6-7,13,22H,4-5,8-11H2,(H,20,21)
InChIKeyUHYQLGCBKJESJP-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.23
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide

2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide (PubChem CID 71806239) has the molecular formula C16H20F3NO2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
PubChem CID71806239
Molecular FormulaC16H20F3NO2S
Molecular Weight347.40 g/mol
Exact Mass347.12
IUPAC Name2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
SMILESO=C(CSC1CCCC1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H20F3NO2S/c17-16(18,19)15(22,12-6-2-1-3-7-12)11-20-14(21)10-23-13-8-4-5-9-13/h1-3,6-7,13,22H,4-5,8-11H2,(H,20,21)
InChIKeyUHYQLGCBKJESJP-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide (CID 71806239) is 2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide is O=C(CSC1CCCC1)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The InChIKey is UHYQLGCBKJESJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2S/c17-16(18,19)15(22,12-6-2-1-3-7-12)11-20-14(21)10-23-13-8-4-5-9-13/h1-3,6-7,13,22H,4-5,8-11H2,(H,20,21).
What are the key properties of 2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide has a molecular weight of 347.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide is sourced from PubChem (CID 71806239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).