2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide

C17H17F2NO2S — CID 112793555

IUPAC2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
SMILESO=C(COc1ccccc1F)NCCCSc1ccc(F)cc1
InChIInChI=1S/C17H17F2NO2S/c18-13-6-8-14(9-7-13)23-11-3-10-20-17(21)12-22-16-5-2-1-4-15(16)19/h1-2,4-9H,3,10-12H2,(H,20,21)
InChIKeyHRLPPBLIDMHXAR-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.64
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide

2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide (PubChem CID 112793555) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
PubChem CID112793555
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC Name2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
SMILESO=C(COc1ccccc1F)NCCCSc1ccc(F)cc1
InChIInChI=1S/C17H17F2NO2S/c18-13-6-8-14(9-7-13)23-11-3-10-20-17(21)12-22-16-5-2-1-4-15(16)19/h1-2,4-9H,3,10-12H2,(H,20,21)
InChIKeyHRLPPBLIDMHXAR-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 26635741
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium
CID 2330207
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide
CID 38419839
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 27828609
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide
CID 112793501

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide (CID 112793555) is 2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide is O=C(COc1ccccc1F)NCCCSc1ccc(F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide?
The InChIKey is HRLPPBLIDMHXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c18-13-6-8-14(9-7-13)23-11-3-10-20-17(21)12-22-16-5-2-1-4-15(16)19/h1-2,4-9H,3,10-12H2,(H,20,21).
What are the key properties of 2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide?
2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide has a molecular weight of 337.39 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide is sourced from PubChem (CID 112793555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).