2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide

C16H23FN2O2S — CID 28570194

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCCCN1CCOCC1
InChIInChI=1S/C16H23FN2O2S/c17-15-4-2-14(3-5-15)12-22-13-16(20)18-6-1-7-19-8-10-21-11-9-19/h2-5H,1,6-13H2,(H,18,20)
InChIKeyWNLUIXACDXXZGE-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.90
Rot. Bonds8

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 28570194) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID28570194
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CSCc1ccc(F)cc1)NCCCN1CCOCC1
InChIInChI=1S/C16H23FN2O2S/c17-15-4-2-14(3-5-15)12-22-13-16(20)18-6-1-7-19-8-10-21-11-9-19/h2-5H,1,6-13H2,(H,18,20)
InChIKeyWNLUIXACDXXZGE-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 28570194) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(CSCc1ccc(F)cc1)NCCCN1CCOCC1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is WNLUIXACDXXZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c17-15-4-2-14(3-5-15)12-22-13-16(20)18-6-1-7-19-8-10-21-11-9-19/h2-5H,1,6-13H2,(H,18,20).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 28570194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).