2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide

C16H16F3N3O4S — CID 67566217

IUPAC2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O
InChIInChI=1S/C16H16F3N3O4S/c1-10-5-6-13(15(24)22(10)8-14(20)23)21-27(25,26)9-11-3-2-4-12(7-11)16(17,18)19/h2-7,21H,8-9H2,1H3,(H2,20,23)
InChIKeyFBUSOOZDCRXFKJ-UHFFFAOYSA-N
MW403.38 g/mol
LogP1.60
Rot. Bonds6

About 2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide

2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide (PubChem CID 67566217) has the molecular formula C16H16F3N3O4S and a molecular weight of 403.38 g/mol. Its IUPAC name is 2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
PubChem CID67566217
Molecular FormulaC16H16F3N3O4S
Molecular Weight403.38 g/mol
Exact Mass403.08
IUPAC Name2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O
InChIInChI=1S/C16H16F3N3O4S/c1-10-5-6-13(15(24)22(10)8-14(20)23)21-27(25,26)9-11-3-2-4-12(7-11)16(17,18)19/h2-7,21H,8-9H2,1H3,(H2,20,23)
InChIKeyFBUSOOZDCRXFKJ-UHFFFAOYSA-N
XLogP1.60
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(N'-methylcarbamimidoyl)amino]oxyethyl]-2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
CID 162577307
2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[2-[(N'-methylcarbamimidoyl)amino]oxyethyl]acetamide;2,2,2-trifluoroacetic acid
CID 22178766
N-(cyanomethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616017
N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 71967960
2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(1-carbamimidoylpiperidin-4-yl)methyl]acetamide;hydrochloride
CID 158502594
N-[1-(1-aminoethenyl)-2-ethoxypiperidin-3-yl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 22943424
2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 166268831
(2S)-N-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]propanamide
CID 94087753
2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde
CID 143453509
N-[2-(propylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120715926
2-[cyanomethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118474
2-(benzylsulfonylamino)-N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-5-(trifluoromethyl)benzamide
CID 150709311

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
The IUPAC name of 2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide (CID 67566217) is 2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide.
What is the SMILES notation for 2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
The canonical SMILES for 2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide is Cc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n1CC(N)=O.
What is the InChIKey of 2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
The InChIKey is FBUSOOZDCRXFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O4S/c1-10-5-6-13(15(24)22(10)8-14(20)23)21-27(25,26)9-11-3-2-4-12(7-11)16(17,18)19/h2-7,21H,8-9H2,1H3,(H2,20,23).
What are the key properties of 2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide has a molecular weight of 403.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide is sourced from PubChem (CID 67566217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).