2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide

C16H16F3N3O4S — CID 67565597

IUPAC2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O
InChIInChI=1S/C16H16F3N3O4S/c1-10-2-7-13(15(24)22(10)8-14(20)23)21-27(25,26)9-11-3-5-12(6-4-11)16(17,18)19/h2-7,21H,8-9H2,1H3,(H2,20,23)
InChIKeyGIOAHJIGJCGNJQ-UHFFFAOYSA-N
MW403.38 g/mol
LogP1.60
Rot. Bonds6

About 2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide

2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide (PubChem CID 67565597) has the molecular formula C16H16F3N3O4S and a molecular weight of 403.38 g/mol. Its IUPAC name is 2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
PubChem CID67565597
Molecular FormulaC16H16F3N3O4S
Molecular Weight403.38 g/mol
Exact Mass403.08
IUPAC Name2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O
InChIInChI=1S/C16H16F3N3O4S/c1-10-2-7-13(15(24)22(10)8-14(20)23)21-27(25,26)9-11-3-5-12(6-4-11)16(17,18)19/h2-7,21H,8-9H2,1H3,(H2,20,23)
InChIKeyGIOAHJIGJCGNJQ-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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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
The IUPAC name of 2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide (CID 67565597) is 2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide.
What is the SMILES notation for 2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
The canonical SMILES for 2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide is Cc1ccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(N)=O.
What is the InChIKey of 2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
The InChIKey is GIOAHJIGJCGNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O4S/c1-10-2-7-13(15(24)22(10)8-14(20)23)21-27(25,26)9-11-3-5-12(6-4-11)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-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
2-[6-methyl-2-oxo-3-[[4-(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-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide is sourced from PubChem (CID 67565597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).