2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide

C13H18F3N3O4S — CID 7768185

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O4S/c1-3-19(4-2)24(22,23)10-5-6-12(21)18(7-10)8-11(20)17-9-13(14,15)16/h5-7H,3-4,8-9H2,1-2H3,(H,17,20)
InChIKeyWBKGIQLQBDMROX-UHFFFAOYSA-N
MW369.37 g/mol
LogP0.56
Rot. Bonds7

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 7768185) has the molecular formula C13H18F3N3O4S and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID7768185
Molecular FormulaC13H18F3N3O4S
Molecular Weight369.37 g/mol
Exact Mass369.10
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O4S/c1-3-19(4-2)24(22,23)10-5-6-12(21)18(7-10)8-11(20)17-9-13(14,15)16/h5-7H,3-4,8-9H2,1-2H3,(H,17,20)
InChIKeyWBKGIQLQBDMROX-UHFFFAOYSA-N
XLogP0.56
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 7768185) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WBKGIQLQBDMROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O4S/c1-3-19(4-2)24(22,23)10-5-6-12(21)18(7-10)8-11(20)17-9-13(14,15)16/h5-7H,3-4,8-9H2,1-2H3,(H,17,20).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 369.37 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 7768185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).