2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide

C23H21F3N2O5S — CID 71289973

IUPAC2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(OC)n2)cc1
InChIInChI=1S/C23H21F3N2O5S/c1-3-34(30,31)16-10-8-15(9-11-16)14-21(29)27-20-13-12-18(22(28-20)32-2)17-6-4-5-7-19(17)33-23(24,25)26/h4-13H,3,14H2,1-2H3,(H,27,28,29)
InChIKeyJIFLNCRUVOMBAM-UHFFFAOYSA-N
MW494.49 g/mol
LogP4.63
Rot. Bonds8

About 2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide (PubChem CID 71289973) has the molecular formula C23H21F3N2O5S and a molecular weight of 494.49 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
PubChem CID71289973
Molecular FormulaC23H21F3N2O5S
Molecular Weight494.49 g/mol
Exact Mass494.11
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(OC)n2)cc1
InChIInChI=1S/C23H21F3N2O5S/c1-3-34(30,31)16-10-8-15(9-11-16)14-21(29)27-20-13-12-18(22(28-20)32-2)17-6-4-5-7-19(17)33-23(24,25)26/h4-13H,3,14H2,1-2H3,(H,27,28,29)
InChIKeyJIFLNCRUVOMBAM-UHFFFAOYSA-N
XLogP4.63
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-[3-pyridin-2-yl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71285897
2-(4-ethylsulfonylphenyl)-N-[2-(iodomethyl)-3-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 89425955
2-(4-ethylsulfonylphenyl)-N-[4-[2-(trifluoromethoxy)phenyl]-1H-indol-7-yl]acetamide
CID 71285804
2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71283853
N-[3,5-difluoro-4-[4-fluoro-2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71506775
N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 78320018
2-(4-ethylsulfonylphenyl)-2-hydroxy-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 144540017
2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide
CID 118144406
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide
CID 71286023
1-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-[(4-propylsulfonylphenyl)methyl]urea
CID 139409328
N-[4-(2-butoxyphenyl)-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289987
N-[4-[2-(difluoromethoxy)phenyl]-3,5-difluorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285710

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide (CID 71289973) is 2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(OC)n2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The InChIKey is JIFLNCRUVOMBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O5S/c1-3-34(30,31)16-10-8-15(9-11-16)14-21(29)27-20-13-12-18(22(28-20)32-2)17-6-4-5-7-19(17)33-23(24,25)26/h4-13H,3,14H2,1-2H3,(H,27,28,29).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide has a molecular weight of 494.49 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[6-methoxy-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 71289973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).