2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide

C17H24FNO2S — CID 71810615

IUPAC2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
SMILESCOC(C)(CNC(=O)CSC1CCCC1)c1ccccc1F
InChIInChI=1S/C17H24FNO2S/c1-17(21-2,14-9-5-6-10-15(14)18)12-19-16(20)11-22-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,19,20)
InChIKeyWRABEMBUAAWJAD-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.48
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide

2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide (PubChem CID 71810615) has the molecular formula C17H24FNO2S and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
PubChem CID71810615
Molecular FormulaC17H24FNO2S
Molecular Weight325.45 g/mol
Exact Mass325.15
IUPAC Name2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
SMILESCOC(C)(CNC(=O)CSC1CCCC1)c1ccccc1F
InChIInChI=1S/C17H24FNO2S/c1-17(21-2,14-9-5-6-10-15(14)18)12-19-16(20)11-22-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,19,20)
InChIKeyWRABEMBUAAWJAD-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71806239
N-(2-(2-fluorophenyl)-2-methoxypropyl)cyclohex-3-enecarboxamide
CID 71810645
N-(2-methoxy-2-phenylbutyl)acetamide
CID 71810717
3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
CID 90599180
N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl]ethoxyacetamide
CID 97428303
N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl](3-thienyl)acetamide
CID 97428418
N-[(R)-2-methoxy-2-phenylbutyl](p-fluorophenylthio)acetamide
CID 97428592
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl](benzylthio)acetamide
CID 97553399
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]3-(phenylthio)propionamide
CID 97553403
2-(cyclopentylthio)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388
N-(2-(2-chlorophenyl)-2-methoxyethyl)-2-(cyclopentylthio)acetamide
CID 76149802
2-(benzylthio)-N-(2-(3-chlorophenyl)-2-methoxypropyl)acetamide
CID 76150064

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide (CID 71810615) is 2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide is COC(C)(CNC(=O)CSC1CCCC1)c1ccccc1F.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
The InChIKey is WRABEMBUAAWJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2S/c1-17(21-2,14-9-5-6-10-15(14)18)12-19-16(20)11-22-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide has a molecular weight of 325.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide is sourced from PubChem (CID 71810615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).