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

C12H15F3N4O5S — CID 27480330

IUPAC2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N4O5S/c1-18(2)25(23,24)8-3-4-10(21)19(5-8)6-9(20)17-11(22)16-7-12(13,14)15/h3-5H,6-7H2,1-2H3,(H2,16,17,20,22)
InChIKeyZMLGLSOJPDJXQO-UHFFFAOYSA-N
MW384.34 g/mol
LogP-0.51
Rot. Bonds5

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

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 27480330) has the molecular formula C12H15F3N4O5S and a molecular weight of 384.34 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID27480330
Molecular FormulaC12H15F3N4O5S
Molecular Weight384.34 g/mol
Exact Mass384.07
IUPAC Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N4O5S/c1-18(2)25(23,24)8-3-4-10(21)19(5-8)6-9(20)17-11(22)16-7-12(13,14)15/h3-5H,6-7H2,1-2H3,(H2,16,17,20,22)
InChIKeyZMLGLSOJPDJXQO-UHFFFAOYSA-N
XLogP-0.51
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 27480330) is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is ZMLGLSOJPDJXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O5S/c1-18(2)25(23,24)8-3-4-10(21)19(5-8)6-9(20)17-11(22)16-7-12(13,14)15/h3-5H,6-7H2,1-2H3,(H2,16,17,20,22).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 384.34 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 27480330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).