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

C14H19F3N4O5S — CID 8953706

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C14H19F3N4O5S/c1-3-21(4-2)27(25,26)10-5-6-12(23)20(7-10)8-11(22)19-13(24)18-9-14(15,16)17/h5-7H,3-4,8-9H2,1-2H3,(H2,18,19,22,24)
InChIKeyUWFQDHBYGAJRSB-UHFFFAOYSA-N
MW412.39 g/mol
LogP0.27
Rot. Bonds7

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

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 8953706) has the molecular formula C14H19F3N4O5S and a molecular weight of 412.39 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID8953706
Molecular FormulaC14H19F3N4O5S
Molecular Weight412.39 g/mol
Exact Mass412.10
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C14H19F3N4O5S/c1-3-21(4-2)27(25,26)10-5-6-12(23)20(7-10)8-11(22)19-13(24)18-9-14(15,16)17/h5-7H,3-4,8-9H2,1-2H3,(H2,18,19,22,24)
InChIKeyUWFQDHBYGAJRSB-UHFFFAOYSA-N
XLogP0.27
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 8953706) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is UWFQDHBYGAJRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O5S/c1-3-21(4-2)27(25,26)10-5-6-12(23)20(7-10)8-11(22)19-13(24)18-9-14(15,16)17/h5-7H,3-4,8-9H2,1-2H3,(H2,18,19,22,24).
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 412.39 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 8953706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).