N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide

C22H16F3N3O4S — CID 22588592

IUPACN-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)N(c2ccccc2)S(=O)(=O)c2ccccc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H16F3N3O4S/c23-22(24,25)16-10-4-5-11-17(16)26-20(29)14-27-18-12-6-7-13-19(18)33(31,32)28(21(27)30)15-8-2-1-3-9-15/h1-13H,14H2,(H,26,29)
InChIKeyCGHPQAUQFVOKDT-UHFFFAOYSA-N
MW475.45 g/mol
LogP4.48
Rot. Bonds4

About N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide

N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide (PubChem CID 22588592) has the molecular formula C22H16F3N3O4S and a molecular weight of 475.45 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
PubChem CID22588592
Molecular FormulaC22H16F3N3O4S
Molecular Weight475.45 g/mol
Exact Mass475.08
IUPAC NameN-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)N(c2ccccc2)S(=O)(=O)c2ccccc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H16F3N3O4S/c23-22(24,25)16-10-4-5-11-17(16)26-20(29)14-27-18-12-6-7-13-19(18)33(31,32)28(21(27)30)15-8-2-1-3-9-15/h1-13H,14H2,(H,26,29)
InChIKeyCGHPQAUQFVOKDT-UHFFFAOYSA-N
XLogP4.48
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide
CID 22588579
2-(2-oxobenzo[cd]indol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 989246
2-[(2R)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 92667323
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 98186401
2-[2-(4-ethylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(3-methylbutyl)acetamide
CID 22588999
2-[2-(3-methoxyphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 16832218
2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17200717
N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 122245031
6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid
CID 71700189
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[(3E)-3-(2-amino-4-oxo-1,3-thiazol-5-ylidene)-2-oxoindol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 50741317
1-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 2991256

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide (CID 22588592) is N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide is O=C(CN1C(=O)N(c2ccccc2)S(=O)(=O)c2ccccc21)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The InChIKey is CGHPQAUQFVOKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O4S/c23-22(24,25)16-10-4-5-11-17(16)26-20(29)14-27-18-12-6-7-13-19(18)33(31,32)28(21(27)30)15-8-2-1-3-9-15/h1-13H,14H2,(H,26,29).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide has a molecular weight of 475.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide is sourced from PubChem (CID 22588592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).