2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide

C15H20FNO2S2 — CID 86265194

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCSC1CCOCC1
InChIInChI=1S/C15H20FNO2S2/c16-12-1-3-13(4-2-12)21-11-15(18)17-7-10-20-14-5-8-19-9-6-14/h1-4,14H,5-11H2,(H,17,18)
InChIKeyHCETYHKAGJZQDV-UHFFFAOYSA-N
MW329.46 g/mol
LogP2.95
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide (PubChem CID 86265194) has the molecular formula C15H20FNO2S2 and a molecular weight of 329.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide
PubChem CID86265194
Molecular FormulaC15H20FNO2S2
Molecular Weight329.46 g/mol
Exact Mass329.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCSC1CCOCC1
InChIInChI=1S/C15H20FNO2S2/c16-12-1-3-13(4-2-12)21-11-15(18)17-7-10-20-14-5-8-19-9-6-14/h1-4,14H,5-11H2,(H,17,18)
InChIKeyHCETYHKAGJZQDV-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369
N-(3-ethoxypropyl)-2-(phenylthio)acetamide
CID 2180085
2-[(4-Fluorophenyl)sulfanyl]-1-morpholino-1-ethanone
CID 1486398
N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
CID 2105521
2-[(4-fluorophenyl)sulfanyl]-N-[2-(phenylsulfanyl)ethyl]acetamide
CID 2765499
3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 51072649
3-(4-fluorophenyl)sulfanyl-N-(1-methoxypropan-2-yl)propanamide
CID 51072682
N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
CID 798143
N-(3-methoxypropyl)-2-(phenylsulfanyl)acetamide
CID 2271004
3-(phenylthio)-N-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)propanamide
CID 86265193
3-(phenylsulfonyl)-N-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)propanamide
CID 86265203

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide (CID 86265194) is 2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide is O=C(CSc1ccc(F)cc1)NCCSC1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide?
The InChIKey is HCETYHKAGJZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S2/c16-12-1-3-13(4-2-12)21-11-15(18)17-7-10-20-14-5-8-19-9-6-14/h1-4,14H,5-11H2,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide has a molecular weight of 329.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 86265194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).