N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide

C8H10F6N2O6S2 — CID 23337364

IUPACN,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide
SMILESCCN(C(=O)C(=O)N(CC)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H10F6N2O6S2/c1-3-15(23(19,20)7(9,10)11)5(17)6(18)16(4-2)24(21,22)8(12,13)14/h3-4H2,1-2H3
InChIKeyRJRUQUMJDSQAPN-UHFFFAOYSA-N
MW408.30 g/mol
LogP0.38
Rot. Bonds4

About N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide

N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide (PubChem CID 23337364) has the molecular formula C8H10F6N2O6S2 and a molecular weight of 408.30 g/mol. Its IUPAC name is N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide.

Molecular Properties

Compound NameN,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide
PubChem CID23337364
Molecular FormulaC8H10F6N2O6S2
Molecular Weight408.30 g/mol
Exact Mass407.99
IUPAC NameN,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide
SMILESCCN(C(=O)C(=O)N(CC)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H10F6N2O6S2/c1-3-15(23(19,20)7(9,10)11)5(17)6(18)16(4-2)24(21,22)8(12,13)14/h3-4H2,1-2H3
InChIKeyRJRUQUMJDSQAPN-UHFFFAOYSA-N
XLogP0.38
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide 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'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The IUPAC name of N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide (CID 23337364) is N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide.
What is the SMILES notation for N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The canonical SMILES for N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide is CCN(C(=O)C(=O)N(CC)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The InChIKey is RJRUQUMJDSQAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O6S2/c1-3-15(23(19,20)7(9,10)11)5(17)6(18)16(4-2)24(21,22)8(12,13)14/h3-4H2,1-2H3.
What are the key properties of N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide has a molecular weight of 408.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide is sourced from PubChem (CID 23337364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).