2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide

C16H17BrN2O2S — CID 37343566

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCCCSc1ccccc1
InChIInChI=1S/C16H17BrN2O2S/c17-13-7-8-16(21)19(11-13)12-15(20)18-9-4-10-22-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12H2,(H,18,20)
InChIKeyZYMBTYVVVLKMMZ-UHFFFAOYSA-N
MW381.30 g/mol
LogP2.91
Rot. Bonds7

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide (PubChem CID 37343566) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide
PubChem CID37343566
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)NCCCSc1ccccc1
InChIInChI=1S/C16H17BrN2O2S/c17-13-7-8-16(21)19(11-13)12-15(20)18-9-4-10-22-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12H2,(H,18,20)
InChIKeyZYMBTYVVVLKMMZ-UHFFFAOYSA-N
XLogP2.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 52.91
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-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide (CID 37343566) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide is O=C(Cn1cc(Br)ccc1=O)NCCCSc1ccccc1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide?
The InChIKey is ZYMBTYVVVLKMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c17-13-7-8-16(21)19(11-13)12-15(20)18-9-4-10-22-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12H2,(H,18,20).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide has a molecular weight of 381.30 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-phenylsulfanylpropyl)acetamide is sourced from PubChem (CID 37343566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).