2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium

C16H32FN2O5SY- — CID 156794537

IUPAC2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium
SMILESC[N-]CCOCCOCCOCCOC(C)(C)C(F)CNC(=O)SC.[Y]
InChIInChI=1S/C16H32FN2O5S.Y/c1-16(2,14(17)13-19-15(20)25-4)24-12-11-23-10-9-22-8-7-21-6-5-18-3;/h14H,5-13H2,1-4H3,(H,19,20);/q-1;
InChIKeyJAEKUIVLRHOJLT-UHFFFAOYSA-N
MW472.41 g/mol
LogP2.24
Rot. Bonds16

About 2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium

2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium (PubChem CID 156794537) has the molecular formula C16H32FN2O5SY- and a molecular weight of 472.41 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium.

Molecular Properties

Compound Name2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium
PubChem CID156794537
Molecular FormulaC16H32FN2O5SY-
Molecular Weight472.41 g/mol
Exact Mass472.11
IUPAC Name2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium
SMILESC[N-]CCOCCOCCOCCOC(C)(C)C(F)CNC(=O)SC.[Y]
InChIInChI=1S/C16H32FN2O5S.Y/c1-16(2,14(17)13-19-15(20)25-4)24-12-11-23-10-9-22-8-7-21-6-5-18-3;/h14H,5-13H2,1-4H3,(H,19,20);/q-1;
InChIKeyJAEKUIVLRHOJLT-UHFFFAOYSA-N
XLogP2.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide
CID 142623231
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]acetamide
CID 142623236
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]formamide
CID 153390522
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]acetamide
CID 153390741
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]acetamide
CID 164557527
S-methyl N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]carbamothioate
CID 166118245
S-methyl N-[2-fluoro-3-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]carbamothioate
CID 166678471
S-methyl N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]carbamothioate
CID 166678751
S-methyl N-[2-fluoro-3-methyl-3-[2-oxo-2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethylamino]ethoxy]butyl]carbamothioate
CID 166678799
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]acetamide
CID 167107273
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(propylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide
CID 167191410
N-[2-fluoro-3-methyl-3-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 167242970

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium?
The IUPAC name of 2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium (CID 156794537) is 2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium.
What is the SMILES notation for 2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium?
The canonical SMILES for 2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium is C[N-]CCOCCOCCOCCOC(C)(C)C(F)CNC(=O)SC.[Y].
What is the InChIKey of 2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium?
The InChIKey is JAEKUIVLRHOJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32FN2O5S.Y/c1-16(2,14(17)13-19-15(20)25-4)24-12-11-23-10-9-22-8-7-21-6-5-18-3;/h14H,5-13H2,1-4H3,(H,19,20);/q-1;.
What are the key properties of 2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium?
2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium has a molecular weight of 472.41 g/mol, XLogP of 2.24, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[3-fluoro-2-methyl-4-(methylsulfanylcarbonylamino)butan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium is sourced from PubChem (CID 156794537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).