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

C21H43FN2O7S — CID 167243352

IUPACN-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
SMILESCC(C)NCCOCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)S
InChIInChI=1S/C21H43FN2O7S/c1-18(2)23-4-5-26-6-7-27-8-9-28-10-11-29-12-13-30-14-15-31-17-20(22)16-24-21(25)19(3)32/h18-20,23,32H,4-17H2,1-3H3,(H,24,25)
InChIKeyUAGPRRODAPWMKS-UHFFFAOYSA-N
MW486.65 g/mol
LogP0.86
Rot. Bonds24

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

N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide (PubChem CID 167243352) has the molecular formula C21H43FN2O7S and a molecular weight of 486.65 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
PubChem CID167243352
Molecular FormulaC21H43FN2O7S
Molecular Weight486.65 g/mol
Exact Mass486.28
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
SMILESCC(C)NCCOCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)S
InChIInChI=1S/C21H43FN2O7S/c1-18(2)23-4-5-26-6-7-27-8-9-28-10-11-29-12-13-30-14-15-31-17-20(22)16-24-21(25)19(3)32/h18-20,23,32H,4-17H2,1-3H3,(H,24,25)
InChIKeyUAGPRRODAPWMKS-UHFFFAOYSA-N
XLogP0.86
TPSA96.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.65
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide (CID 167243352) is N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide is CC(C)NCCOCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)S.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide?
The InChIKey is UAGPRRODAPWMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43FN2O7S/c1-18(2)23-4-5-26-6-7-27-8-9-28-10-11-29-12-13-30-14-15-31-17-20(22)16-24-21(25)19(3)32/h18-20,23,32H,4-17H2,1-3H3,(H,24,25).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide has a molecular weight of 486.65 g/mol, XLogP of 0.86, 24 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide is sourced from PubChem (CID 167243352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).