8-oxo-N-phenyl-9-sulfanylnonanamide

C15H21NO2S — CID 11964503

IUPAC8-oxo-N-phenyl-9-sulfanylnonanamide
SMILESO=C(CS)CCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H21NO2S/c17-14(12-19)10-6-1-2-7-11-15(18)16-13-8-4-3-5-9-13/h3-5,8-9,19H,1-2,6-7,10-12H2,(H,16,18)
InChIKeyUJRMRSNAFIQQLD-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.46
Rot. Bonds9

About 8-oxo-N-phenyl-9-sulfanylnonanamide

8-oxo-N-phenyl-9-sulfanylnonanamide (PubChem CID 11964503) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 8-oxo-N-phenyl-9-sulfanylnonanamide.

Molecular Properties

Compound Name8-oxo-N-phenyl-9-sulfanylnonanamide
PubChem CID11964503
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name8-oxo-N-phenyl-9-sulfanylnonanamide
SMILESO=C(CS)CCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H21NO2S/c17-14(12-19)10-6-1-2-7-11-15(18)16-13-8-4-3-5-9-13/h3-5,8-9,19H,1-2,6-7,10-12H2,(H,16,18)
InChIKeyUJRMRSNAFIQQLD-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 8-oxo-N-phenyl-9-sulfanylnonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-oxo-N-phenyl-9-sulfanylnonanamide?
The IUPAC name of 8-oxo-N-phenyl-9-sulfanylnonanamide (CID 11964503) is 8-oxo-N-phenyl-9-sulfanylnonanamide.
What is the SMILES notation for 8-oxo-N-phenyl-9-sulfanylnonanamide?
The canonical SMILES for 8-oxo-N-phenyl-9-sulfanylnonanamide is O=C(CS)CCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of 8-oxo-N-phenyl-9-sulfanylnonanamide?
The InChIKey is UJRMRSNAFIQQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-14(12-19)10-6-1-2-7-11-15(18)16-13-8-4-3-5-9-13/h3-5,8-9,19H,1-2,6-7,10-12H2,(H,16,18).
What are the key properties of 8-oxo-N-phenyl-9-sulfanylnonanamide?
8-oxo-N-phenyl-9-sulfanylnonanamide has a molecular weight of 279.40 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-N-phenyl-9-sulfanylnonanamide is sourced from PubChem (CID 11964503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).