2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide

C23H19F2N3O4S — CID 22589234

IUPAC2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN1C(=O)N(c2cc(F)ccc2F)S(=O)(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H19F2N3O4S/c1-2-26(17-8-4-3-5-9-17)22(29)15-27-19-10-6-7-11-21(19)33(31,32)28(23(27)30)20-14-16(24)12-13-18(20)25/h3-14H,2,15H2,1H3
InChIKeyVJDROXKOIHTOPO-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.15
Rot. Bonds5

About 2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide

2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide (PubChem CID 22589234) has the molecular formula C23H19F2N3O4S and a molecular weight of 471.49 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide
PubChem CID22589234
Molecular FormulaC23H19F2N3O4S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC Name2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN1C(=O)N(c2cc(F)ccc2F)S(=O)(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H19F2N3O4S/c1-2-26(17-8-4-3-5-9-17)22(29)15-27-19-10-6-7-11-21(19)33(31,32)28(23(27)30)20-14-16(24)12-13-18(20)25/h3-14H,2,15H2,1H3
InChIKeyVJDROXKOIHTOPO-UHFFFAOYSA-N
XLogP4.15
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-difluorophenyl)-4-[(4-methylphenyl)methyl]-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one
CID 16876023
2-(2,5-difluorophenyl)-1,1-dioxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1λ6,2,4-benzothiadiazin-3-one
CID 22589235
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-phenylacetamide
CID 51191064
N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 122245031
N-ethyl-N-(4-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 78561438
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7488869
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-(2-ethylphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 16801144
N-ethyl-2-(5-fluoro-2-methoxyphenyl)-N-phenylacetamide
CID 110767193
2-(4-acetylphenyl)-4-[(3-fluorophenyl)methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 154831417
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7886387
N-ethyl-N-(4-fluorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51196261

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide (CID 22589234) is 2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide is CCN(C(=O)CN1C(=O)N(c2cc(F)ccc2F)S(=O)(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide?
The InChIKey is VJDROXKOIHTOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4S/c1-2-26(17-8-4-3-5-9-17)22(29)15-27-19-10-6-7-11-21(19)33(31,32)28(23(27)30)20-14-16(24)12-13-18(20)25/h3-14H,2,15H2,1H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide?
2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide has a molecular weight of 471.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 22589234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).