2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C16H20F3NO2S — CID 71806359

IUPAC2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CSC1CCCC1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2S/c17-16(18,19)12-7-5-11(6-8-12)14(21)9-20-15(22)10-23-13-3-1-2-4-13/h5-8,13-14,21H,1-4,9-10H2,(H,20,22)
InChIKeyGHAXSOSJZQVNBC-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.53
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 71806359) has the molecular formula C16H20F3NO2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID71806359
Molecular FormulaC16H20F3NO2S
Molecular Weight347.40 g/mol
Exact Mass347.12
IUPAC Name2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CSC1CCCC1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2S/c17-16(18,19)12-7-5-11(6-8-12)14(21)9-20-15(22)10-23-13-3-1-2-4-13/h5-8,13-14,21H,1-4,9-10H2,(H,20,22)
InChIKeyGHAXSOSJZQVNBC-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 71806359) is 2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(CSC1CCCC1)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is GHAXSOSJZQVNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2S/c17-16(18,19)12-7-5-11(6-8-12)14(21)9-20-15(22)10-23-13-3-1-2-4-13/h5-8,13-14,21H,1-4,9-10H2,(H,20,22).
What are the key properties of 2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 347.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 71806359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).