2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide

C18H25NO2S — CID 71806388

IUPAC2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
SMILESO=C(CSC1CCCC1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C18H25NO2S/c20-17(12-22-16-8-4-5-9-16)19-13-18(21,15-10-11-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,21H,4-5,8-13H2,(H,19,20)
InChIKeyBSSNXIUWFFOHOK-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.08
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide

2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide (PubChem CID 71806388) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
PubChem CID71806388
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
SMILESO=C(CSC1CCCC1)NCC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C18H25NO2S/c20-17(12-22-16-8-4-5-9-16)19-13-18(21,15-10-11-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,21H,4-5,8-13H2,(H,19,20)
InChIKeyBSSNXIUWFFOHOK-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.08
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-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide (CID 71806388) is 2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide is O=C(CSC1CCCC1)NCC(O)(c1ccccc1)C1CC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide?
The InChIKey is BSSNXIUWFFOHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c20-17(12-22-16-8-4-5-9-16)19-13-18(21,15-10-11-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,21H,4-5,8-13H2,(H,19,20).
What are the key properties of 2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide?
2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide has a molecular weight of 319.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide is sourced from PubChem (CID 71806388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).