2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide

C7H12F3N3O2S — CID 103630047

IUPAC2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H12F3N3O2S/c8-7(9,10)16-2-1-12-6(15)4-13-5(14)3-11/h1-4,11H2,(H,12,15)(H,13,14)
InChIKeyXQYKHXPCKUWYHJ-UHFFFAOYSA-N
MW259.25 g/mol
LogP-0.57
Rot. Bonds6

About 2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide

2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide (PubChem CID 103630047) has the molecular formula C7H12F3N3O2S and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide
PubChem CID103630047
Molecular FormulaC7H12F3N3O2S
Molecular Weight259.25 g/mol
Exact Mass259.06
IUPAC Name2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H12F3N3O2S/c8-7(9,10)16-2-1-12-6(15)4-13-5(14)3-11/h1-4,11H2,(H,12,15)(H,13,14)
InChIKeyXQYKHXPCKUWYHJ-UHFFFAOYSA-N
XLogP-0.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide (CID 103630047) is 2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide is NCC(=O)NCC(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide?
The InChIKey is XQYKHXPCKUWYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O2S/c8-7(9,10)16-2-1-12-6(15)4-13-5(14)3-11/h1-4,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide?
2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide has a molecular weight of 259.25 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide is sourced from PubChem (CID 103630047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).