N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide

C11H20F4N2O5S2 — CID 88989190

IUPACN,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide
SMILESCCCCN(CCCC)C(=O)C(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H20F4N2O5S2/c1-3-5-7-17(8-6-4-2)10(18)9(12)23(19,20)16-24(21,22)11(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyMMDSIMMHQDDJMG-UHFFFAOYSA-N
MW400.42 g/mol
LogP1.48
Rot. Bonds10

About N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide

N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide (PubChem CID 88989190) has the molecular formula C11H20F4N2O5S2 and a molecular weight of 400.42 g/mol. Its IUPAC name is N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide
PubChem CID88989190
Molecular FormulaC11H20F4N2O5S2
Molecular Weight400.42 g/mol
Exact Mass400.07
IUPAC NameN,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide
SMILESCCCCN(CCCC)C(=O)C(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H20F4N2O5S2/c1-3-5-7-17(8-6-4-2)10(18)9(12)23(19,20)16-24(21,22)11(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyMMDSIMMHQDDJMG-UHFFFAOYSA-N
XLogP1.48
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide?
The IUPAC name of N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide (CID 88989190) is N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide?
The canonical SMILES for N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide is CCCCN(CCCC)C(=O)C(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide?
The InChIKey is MMDSIMMHQDDJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F4N2O5S2/c1-3-5-7-17(8-6-4-2)10(18)9(12)23(19,20)16-24(21,22)11(13,14)15/h9,16H,3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide?
N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide has a molecular weight of 400.42 g/mol, XLogP of 1.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-fluoro-2-(trifluoromethylsulfonylsulfamoyl)acetamide is sourced from PubChem (CID 88989190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).