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

C14H20F3N3O4S — CID 55675633

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O4S/c1-4-20(5-2)25(23,24)11-6-7-12(21)19(8-11)9-13(22)18(3)10-14(15,16)17/h6-8H,4-5,9-10H2,1-3H3
InChIKeyFVMWWHVFBSMCGW-UHFFFAOYSA-N
MW383.39 g/mol
LogP0.90
Rot. Bonds7

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

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55675633) has the molecular formula C14H20F3N3O4S and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55675633
Molecular FormulaC14H20F3N3O4S
Molecular Weight383.39 g/mol
Exact Mass383.11
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O4S/c1-4-20(5-2)25(23,24)11-6-7-12(21)19(8-11)9-13(22)18(3)10-14(15,16)17/h6-8H,4-5,9-10H2,1-3H3
InChIKeyFVMWWHVFBSMCGW-UHFFFAOYSA-N
XLogP0.90
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 50.90
H-Bond Donors ≤ 50
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-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 55675633) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CC(F)(F)F)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FVMWWHVFBSMCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O4S/c1-4-20(5-2)25(23,24)11-6-7-12(21)19(8-11)9-13(22)18(3)10-14(15,16)17/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 383.39 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 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-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55675633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).