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

C16H33FN2O4S — CID 138728416

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

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]-2-sulfanylpropanamide (PubChem CID 138728416) has the molecular formula C16H33FN2O4S and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]-2-sulfanylpropanamide.

Molecular Properties

• Compound Name: N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]-2-sulfanylpropanamide
• PubChem CID: 138728416
• Molecular Formula: C16H33FN2O4S
• Molecular Weight: 368.52 g/mol
• Exact Mass: 368.21
• IUPAC Name: N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]-2-sulfanylpropanamide
• SMILES: CC(C)NCCOCCOC(C)COCC(F)CNC(=O)C(C)S
• InChI: InChI=1S/C16H33FN2O4S/c1-12(2)18-5-6-21-7-8-23-13(3)10-22-11-15(17)9-19-16(20)14(4)24/h12-15,18,24H,5-11H2,1-4H3,(H,19,20)
• InChIKey: ZFWOQOHMGNJGHN-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 68.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.52
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]-2-sulfanylpropanamide?

The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]-2-sulfanylpropanamide (CID 138728416) is N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]-2-sulfanylpropanamide.

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

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

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

The InChIKey is ZFWOQOHMGNJGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2O4S/c1-12(2)18-5-6-21-7-8-23-13(3)10-22-11-15(17)9-19-16(20)14(4)24/h12-15,18,24H,5-11H2,1-4H3,(H,19,20).

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

N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]-2-sulfanylpropanamide has a molecular weight of 368.52 g/mol, XLogP of 1.20, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]-2-sulfanylpropanamide is sourced from PubChem (CID 138728416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).