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

C20H22F3N3O4S — CID 24611675

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22F3N3O4S/c21-20(22,23)16-8-9-19(28)25(13-16)14-18(27)24-12-15-6-2-3-7-17(15)31(29,30)26-10-4-1-5-11-26/h2-3,6-9,13H,1,4-5,10-12,14H2,(H,24,27)
InChIKeyJMCXJOYSTIKCGU-UHFFFAOYSA-N
MW457.47 g/mol
LogP2.36
Rot. Bonds6

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

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 24611675) has the molecular formula C20H22F3N3O4S and a molecular weight of 457.47 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID24611675
Molecular FormulaC20H22F3N3O4S
Molecular Weight457.47 g/mol
Exact Mass457.13
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22F3N3O4S/c21-20(22,23)16-8-9-19(28)25(13-16)14-18(27)24-12-15-6-2-3-7-17(15)31(29,30)26-10-4-1-5-11-26/h2-3,6-9,13H,1,4-5,10-12,14H2,(H,24,27)
InChIKeyJMCXJOYSTIKCGU-UHFFFAOYSA-N
XLogP2.36
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24504043
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 36598462
1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 112829659
N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111333062
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55308636
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine
CID 111123793
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 47028663
N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992671
1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 51321501
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25491593
3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 24611704

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide (CID 24611675) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is JMCXJOYSTIKCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4S/c21-20(22,23)16-8-9-19(28)25(13-16)14-18(27)24-12-15-6-2-3-7-17(15)31(29,30)26-10-4-1-5-11-26/h2-3,6-9,13H,1,4-5,10-12,14H2,(H,24,27).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 457.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 24611675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).