N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide

C17H35FN2O5S — CID 170250436

About N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide

N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide (PubChem CID 170250436) has the molecular formula C17H35FN2O5S and a molecular weight of 398.54 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide.

Molecular Properties

• Compound Name: N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
• PubChem CID: 170250436
• Molecular Formula: C17H35FN2O5S
• Molecular Weight: 398.54 g/mol
• Exact Mass: 398.23
• IUPAC Name: N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
• SMILES: CC(C)NCCOCCOCCOCCOCC(F)CNC(=O)C(C)S
• InChI: InChI=1S/C17H35FN2O5S/c1-14(2)19-4-5-22-6-7-23-8-9-24-10-11-25-13-16(18)12-20-17(21)15(3)26/h14-16,19,26H,4-13H2,1-3H3,(H,20,21)
• InChIKey: GSOBNWUEKNNWKD-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 78.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.54
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide?

The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide (CID 170250436) is N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide.

What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide?

The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide is CC(C)NCCOCCOCCOCCOCC(F)CNC(=O)C(C)S.

What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide?

The InChIKey is GSOBNWUEKNNWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FN2O5S/c1-14(2)19-4-5-22-6-7-23-8-9-24-10-11-25-13-16(18)12-20-17(21)15(3)26/h14-16,19,26H,4-13H2,1-3H3,(H,20,21).

What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide?

N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide has a molecular weight of 398.54 g/mol, XLogP of 0.82, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide is sourced from PubChem (CID 170250436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).