N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide

C16H17FN2O2S — CID 51175120

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NCCCSc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2S/c17-13-5-7-14(8-6-13)22-11-3-9-18-15(20)12-19-10-2-1-4-16(19)21/h1-2,4-8,10H,3,9,11-12H2,(H,18,20)
InChIKeyVLWKJSGGJZDWLN-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.29
Rot. Bonds7

About N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 51175120) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID51175120
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NCCCSc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2S/c17-13-5-7-14(8-6-13)22-11-3-9-18-15(20)12-19-10-2-1-4-16(19)21/h1-2,4-8,10H,3,9,11-12H2,(H,18,20)
InChIKeyVLWKJSGGJZDWLN-UHFFFAOYSA-N
XLogP2.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.29
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 N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 51175120) is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)NCCCSc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is VLWKJSGGJZDWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-13-5-7-14(8-6-13)22-11-3-9-18-15(20)12-19-10-2-1-4-16(19)21/h1-2,4-8,10H,3,9,11-12H2,(H,18,20).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 51175120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).