N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide

C14H29FN2O4S — CID 170250557

IUPACN-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOC(C)CNSC
InChIInChI=1S/C14H29FN2O4S/c1-4-14(18)16-10-13(15)11-20-6-5-19-7-8-21-12(2)9-17-22-3/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyFWEXXEWXUJZMPD-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.16
Rot. Bonds15

About N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide

N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide (PubChem CID 170250557) has the molecular formula C14H29FN2O4S and a molecular weight of 340.46 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide
PubChem CID170250557
Molecular FormulaC14H29FN2O4S
Molecular Weight340.46 g/mol
Exact Mass340.18
IUPAC NameN-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOC(C)CNSC
InChIInChI=1S/C14H29FN2O4S/c1-4-14(18)16-10-13(15)11-20-6-5-19-7-8-21-12(2)9-17-22-3/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyFWEXXEWXUJZMPD-UHFFFAOYSA-N
XLogP1.16
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide
CID 169213803
N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide
CID 167520055
2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium
CID 155706815
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylbutanamide
CID 156861015
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]carbamoyl fluoride
CID 155455184
N-[2-fluoro-3-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2,2-dimethylpropanamide
CID 166800549
N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 147243604
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
CID 155739438
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727026

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide (CID 170250557) is N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide is CCC(=O)NCC(F)COCCOCCOC(C)CNSC.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide?
The InChIKey is FWEXXEWXUJZMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2O4S/c1-4-14(18)16-10-13(15)11-20-6-5-19-7-8-21-12(2)9-17-22-3/h12-13,17H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide?
N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 340.46 g/mol, XLogP of 1.16, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 170250557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).