2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C13H25F3N4O4S — CID 120811413

IUPAC2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCCOCCS(=O)(=O)NCC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H25F3N4O4S/c1-2-24-7-8-25(22,23)19-10-12(21)18-9-11(13(14,15)16)20-5-3-17-4-6-20/h11,17,19H,2-10H2,1H3,(H,18,21)
InChIKeyUKBAGKGWZACYNH-UHFFFAOYSA-N
MW390.43 g/mol
LogP-1.11
Rot. Bonds10

About 2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120811413) has the molecular formula C13H25F3N4O4S and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120811413
Molecular FormulaC13H25F3N4O4S
Molecular Weight390.43 g/mol
Exact Mass390.15
IUPAC Name2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCCOCCS(=O)(=O)NCC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H25F3N4O4S/c1-2-24-7-8-25(22,23)19-10-12(21)18-9-11(13(14,15)16)20-5-3-17-4-6-20/h11,17,19H,2-10H2,1H3,(H,18,21)
InChIKeyUKBAGKGWZACYNH-UHFFFAOYSA-N
XLogP-1.11
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120811413) is 2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is CCOCCS(=O)(=O)NCC(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is UKBAGKGWZACYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N4O4S/c1-2-24-7-8-25(22,23)19-10-12(21)18-9-11(13(14,15)16)20-5-3-17-4-6-20/h11,17,19H,2-10H2,1H3,(H,18,21).
What are the key properties of 2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 390.43 g/mol, XLogP of -1.11, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfonylamino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120811413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).