About N-phenyl-2-phenylsulfanylpropanamide
N-phenyl-2-phenylsulfanylpropanamide (PubChem CID 2889315) has the molecular formula C15H15NOS
and a molecular weight of 257.36 g/mol. Its IUPAC name is N-phenyl-2-phenylsulfanylpropanamide.
Molecular Properties
| Compound Name | N-phenyl-2-phenylsulfanylpropanamide |
| PubChem CID | 2889315 |
| Molecular Formula | C15H15NOS |
| Molecular Weight | 257.36 g/mol |
| Exact Mass | 257.09 |
| IUPAC Name | N-phenyl-2-phenylsulfanylpropanamide |
| SMILES | CC(Sc1ccccc1)C(=O)Nc1ccccc1 |
| InChI | InChI=1S/C15H15NOS/c1-12(18-14-10-6-3-7-11-14)15(17)16-13-8-4-2-5-9-13/h2-12H,1H3,(H,16,17) |
| InChIKey | AMTLMINJXFFKAB-UHFFFAOYSA-N |
| XLogP | 3.81 |
| TPSA | 29.10 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 257.36 |
| LogP ≤ 5 | 3.81 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-phenyl-2-phenylsulfanylpropanamide?
The IUPAC name of N-phenyl-2-phenylsulfanylpropanamide (CID 2889315) is N-phenyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-phenyl-2-phenylsulfanylpropanamide?
The canonical SMILES for N-phenyl-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-phenylsulfanylpropanamide?
The InChIKey is AMTLMINJXFFKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-12(18-14-10-6-3-7-11-14)15(17)16-13-8-4-2-5-9-13/h2-12H,1H3,(H,16,17).
What are the key properties of N-phenyl-2-phenylsulfanylpropanamide?
N-phenyl-2-phenylsulfanylpropanamide has a molecular weight of 257.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2889315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).