2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

C15H22F3N3O4S — CID 86833496

IUPAC2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CCC(F)(F)F)c1
InChIInChI=1S/C15H22F3N3O4S/c1-4-21(5-2)26(24,25)12-6-7-13(22)20(10-12)11-14(23)19(3)9-8-15(16,17)18/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyRBHJWZUJZRFFLK-UHFFFAOYSA-N
MW397.42 g/mol
LogP1.29
Rot. Bonds8

About 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 86833496) has the molecular formula C15H22F3N3O4S and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID86833496
Molecular FormulaC15H22F3N3O4S
Molecular Weight397.42 g/mol
Exact Mass397.13
IUPAC Name2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CCC(F)(F)F)c1
InChIInChI=1S/C15H22F3N3O4S/c1-4-21(5-2)26(24,25)12-6-7-13(22)20(10-12)11-14(23)19(3)9-8-15(16,17)18/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyRBHJWZUJZRFFLK-UHFFFAOYSA-N
XLogP1.29
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 51.29
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-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (CID 86833496) is 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CCC(F)(F)F)c1.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is RBHJWZUJZRFFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O4S/c1-4-21(5-2)26(24,25)12-6-7-13(22)20(10-12)11-14(23)19(3)9-8-15(16,17)18/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methyl-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 397.42 g/mol, XLogP of 1.29, 8 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-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 86833496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).