2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide

C23H21F3N2O4S — CID 71505128

IUPAC2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)c(-c3ccccc3OC(F)(F)F)cn2)cc1
InChIInChI=1S/C23H21F3N2O4S/c1-3-33(30,31)17-10-8-16(9-11-17)13-22(29)28-21-12-15(2)19(14-27-21)18-6-4-5-7-20(18)32-23(24,25)26/h4-12,14H,3,13H2,1-2H3,(H,27,28,29)
InChIKeyUNTKLTGYZLDCRS-UHFFFAOYSA-N
MW478.49 g/mol
LogP4.93
Rot. Bonds7

About 2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide (PubChem CID 71505128) has the molecular formula C23H21F3N2O4S and a molecular weight of 478.49 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
PubChem CID71505128
Molecular FormulaC23H21F3N2O4S
Molecular Weight478.49 g/mol
Exact Mass478.12
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)c(-c3ccccc3OC(F)(F)F)cn2)cc1
InChIInChI=1S/C23H21F3N2O4S/c1-3-33(30,31)17-10-8-16(9-11-17)13-22(29)28-21-12-15(2)19(14-27-21)18-6-4-5-7-20(18)32-23(24,25)26/h4-12,14H,3,13H2,1-2H3,(H,27,28,29)
InChIKeyUNTKLTGYZLDCRS-UHFFFAOYSA-N
XLogP4.93
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide (CID 71505128) is 2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)c(-c3ccccc3OC(F)(F)F)cn2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The InChIKey is UNTKLTGYZLDCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4S/c1-3-33(30,31)17-10-8-16(9-11-17)13-22(29)28-21-12-15(2)19(14-27-21)18-6-4-5-7-20(18)32-23(24,25)26/h4-12,14H,3,13H2,1-2H3,(H,27,28,29).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide has a molecular weight of 478.49 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[4-methyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 71505128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).