2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide

C22H19F3N2O4S2 — CID 46917666

IUPAC2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide
SMILESO=C(Cc1cccc(O)c1)Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O4S2/c23-22(24,25)16-5-2-7-18(14-16)33(30,31)11-10-32-21-19(8-3-9-26-21)27-20(29)13-15-4-1-6-17(28)12-15/h1-9,12,14,28H,10-11,13H2,(H,27,29)
InChIKeyBISKLUZFGMGKDP-UHFFFAOYSA-N
MW496.53 g/mol
LogP4.55
Rot. Bonds8

About 2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide

2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide (PubChem CID 46917666) has the molecular formula C22H19F3N2O4S2 and a molecular weight of 496.53 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide
PubChem CID46917666
Molecular FormulaC22H19F3N2O4S2
Molecular Weight496.53 g/mol
Exact Mass496.07
IUPAC Name2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide
SMILESO=C(Cc1cccc(O)c1)Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O4S2/c23-22(24,25)16-5-2-7-18(14-16)33(30,31)11-10-32-21-19(8-3-9-26-21)27-20(29)13-15-4-1-6-17(28)12-15/h1-9,12,14,28H,10-11,13H2,(H,27,29)
InChIKeyBISKLUZFGMGKDP-UHFFFAOYSA-N
XLogP4.55
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-naphthalen-2-yl-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide
CID 46917585
N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide
CID 154077259
4-fluoro-2-hydroxy-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]benzamide
CID 46917821
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25222085
N-(3,3-dimethylbutyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide
CID 68729049
2-(3-hydroxyphenyl)-N-(2-methyl-3-pyridinyl)acetamide
CID 79043394
2-(1-benzothiophen-2-yl)-N-[2-[2-[1-[3-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]ethylsulfanyl]-3-pyridinyl]acetamide
CID 175269361
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67184957
N-(3-chloro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 39959255
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
2-(3-hydroxyphenyl)sulfonylethylcarbamic acid
CID 139485959

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide (CID 46917666) is 2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide is O=C(Cc1cccc(O)c1)Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide?
The InChIKey is BISKLUZFGMGKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S2/c23-22(24,25)16-5-2-7-18(14-16)33(30,31)11-10-32-21-19(8-3-9-26-21)27-20(29)13-15-4-1-6-17(28)12-15/h1-9,12,14,28H,10-11,13H2,(H,27,29).
What are the key properties of 2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide?
2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide has a molecular weight of 496.53 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 46917666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).