2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide

C23H19F3N2O5S — CID 4801122

IUPAC2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C23H19F3N2O5S/c1-15(29)16-4-2-7-20(12-16)33-14-22(30)27-18-8-10-21(11-9-18)34(31,32)28-19-6-3-5-17(13-19)23(24,25)26/h2-13,28H,14H2,1H3,(H,27,30)
InChIKeyIQJCZSQRUGFBRN-UHFFFAOYSA-N
MW492.48 g/mol
LogP4.73
Rot. Bonds8

About 2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide

2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 4801122) has the molecular formula C23H19F3N2O5S and a molecular weight of 492.48 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID4801122
Molecular FormulaC23H19F3N2O5S
Molecular Weight492.48 g/mol
Exact Mass492.10
IUPAC Name2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C23H19F3N2O5S/c1-15(29)16-4-2-7-20(12-16)33-14-22(30)27-18-8-10-21(11-9-18)34(31,32)28-19-6-3-5-17(13-19)23(24,25)26/h2-13,28H,14H2,1H3,(H,27,30)
InChIKeyIQJCZSQRUGFBRN-UHFFFAOYSA-N
XLogP4.73
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide
CID 54519091
N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126397930
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
2-(2,4-dichlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43881529
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-(3-acetylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710573
N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 100800861
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide (CID 4801122) is 2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is IQJCZSQRUGFBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O5S/c1-15(29)16-4-2-7-20(12-16)33-14-22(30)27-18-8-10-21(11-9-18)34(31,32)28-19-6-3-5-17(13-19)23(24,25)26/h2-13,28H,14H2,1H3,(H,27,30).
What are the key properties of 2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 492.48 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4801122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).