2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C19H19ClF3N3O4S — CID 3907904

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H19ClF3N3O4S/c20-16-9-13(19(21,22)23)11-25(18(16)28)12-17(27)24-14-5-4-6-15(10-14)31(29,30)26-7-2-1-3-8-26/h4-6,9-11H,1-3,7-8,12H2,(H,24,27)
InChIKeyZMWSLVZUMYTELX-UHFFFAOYSA-N
MW477.89 g/mol
LogP3.33
Rot. Bonds5

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3907904) has the molecular formula C19H19ClF3N3O4S and a molecular weight of 477.89 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3907904
Molecular FormulaC19H19ClF3N3O4S
Molecular Weight477.89 g/mol
Exact Mass477.07
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H19ClF3N3O4S/c20-16-9-13(19(21,22)23)11-25(18(16)28)12-17(27)24-14-5-4-6-15(10-14)31(29,30)26-7-2-1-3-8-26/h4-6,9-11H,1-3,7-8,12H2,(H,24,27)
InChIKeyZMWSLVZUMYTELX-UHFFFAOYSA-N
XLogP3.33
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.89
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 3907904) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is ZMWSLVZUMYTELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O4S/c20-16-9-13(19(21,22)23)11-25(18(16)28)12-17(27)24-14-5-4-6-15(10-14)31(29,30)26-7-2-1-3-8-26/h4-6,9-11H,1-3,7-8,12H2,(H,24,27).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 477.89 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3907904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).