2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C25H18F3N3O3S — CID 4260548

IUPAC2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H18F3N3O3S/c26-25(27,28)17-9-6-10-18(13-17)29-22(32)14-34-21-12-5-4-11-19(21)23(33)31-24-30-20(15-35-24)16-7-2-1-3-8-16/h1-13,15H,14H2,(H,29,32)(H,30,31,33)
InChIKeyOMTVKYFJLCJUKX-UHFFFAOYSA-N
MW497.50 g/mol
LogP6.10
Rot. Bonds7

About 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 4260548) has the molecular formula C25H18F3N3O3S and a molecular weight of 497.50 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID4260548
Molecular FormulaC25H18F3N3O3S
Molecular Weight497.50 g/mol
Exact Mass497.10
IUPAC Name2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H18F3N3O3S/c26-25(27,28)17-9-6-10-18(13-17)29-22(32)14-34-21-12-5-4-11-19(21)23(33)31-24-30-20(15-35-24)16-7-2-1-3-8-16/h1-13,15H,14H2,(H,29,32)(H,30,31,33)
InChIKeyOMTVKYFJLCJUKX-UHFFFAOYSA-N
XLogP6.10
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.50
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566
N-(3-chloro-2-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1313623
N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 88946343
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344834
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
4-phenyl-2-[[2-[N-sulfino-3-(trifluoromethyl)anilino]benzoyl]amino]-1,3-thiazole
CID 175016701
N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2472286
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
CID 134086672
4-phenyl-2-[[2-[N-sulfinato-3-(trifluoromethyl)anilino]benzoyl]amino]-1,3-thiazole;hydrobromide
CID 175016700
2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 9111057

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 4260548) is 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(COc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OMTVKYFJLCJUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O3S/c26-25(27,28)17-9-6-10-18(13-17)29-22(32)14-34-21-12-5-4-11-19(21)23(33)31-24-30-20(15-35-24)16-7-2-1-3-8-16/h1-13,15H,14H2,(H,29,32)(H,30,31,33).
What are the key properties of 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 497.50 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4260548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).