2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C17H18FNO2S — CID 7603933

IUPAC2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-6-8-14(9-7-13)22-11-10-19-17(20)12-21-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyDCKIKHOLHZOPQP-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.42
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 7603933) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID7603933
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-6-8-14(9-7-13)22-11-10-19-17(20)12-21-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyDCKIKHOLHZOPQP-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.42
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

(3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-amine
CID 10638052
N-{2-[(2-chlorophenyl)methylthio]ethyl}-2-phenoxyacetamide
CID 2281988
N-[2-(tert-butylsulfanyl)ethyl]-2-phenoxyacetamide
CID 2269123
N-(3-methylbutan-2-yl)-2-[4-[4-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 4404285
N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 4563338
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 4791683
(3-Phenoxy-propyl)-(2-p-tolylsulfanyl-ethyl)-amine
CID 10542345
N-methyl-4-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 25163054
2-phenoxy-N-(2-(thiophen-2-yl)-2-tosylethyl)acetamide
CID 16032086
2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 53257306
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-phenoxyacetamide
CID 2282358
2-phenoxy-N-[2-(phenylsulfanyl)ethyl]acetamide
CID 2899466

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 7603933) is 2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is Cc1ccc(SCCNC(=O)COc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is DCKIKHOLHZOPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-13-6-8-14(9-7-13)22-11-10-19-17(20)12-21-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 7603933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).