N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide

C24H23N3O4S — CID 122245031

IUPACN-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2ccccc2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C24H23N3O4S/c1-2-25(17-19-11-5-3-6-12-19)23(28)18-26-21-15-9-10-16-22(21)32(30,31)27(24(26)29)20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3
InChIKeyZWPOXMWHYYTMDP-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.87
Rot. Bonds6

About N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide

N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide (PubChem CID 122245031) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
PubChem CID122245031
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2ccccc2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C24H23N3O4S/c1-2-25(17-19-11-5-3-6-12-19)23(28)18-26-21-15-9-10-16-22(21)32(30,31)27(24(26)29)20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3
InChIKeyZWPOXMWHYYTMDP-UHFFFAOYSA-N
XLogP3.87
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]acetamide
CID 22588995
N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652439
2-(4-ethylphenyl)-4-[2-(2-methoxyphenyl)-2-oxoethyl]-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one
CID 18590473
2-[2-(2,5-difluorophenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-ethyl-N-phenylacetamide
CID 22589234
N-benzyl-N-ethyl-2-[(3S)-3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 95095383
2-(4-ethylphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 18590474
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 56522106
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2-[2-(4-ethylphenyl)-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl]-N-(3-methylbutyl)acetamide
CID 22588999
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 7610491
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9230690

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide (CID 122245031) is N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide is CCN(Cc1ccccc1)C(=O)CN1C(=O)N(c2ccccc2)S(=O)(=O)c2ccccc21.
What is the InChIKey of N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
The InChIKey is ZWPOXMWHYYTMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-2-25(17-19-11-5-3-6-12-19)23(28)18-26-21-15-9-10-16-22(21)32(30,31)27(24(26)29)20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide?
N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide has a molecular weight of 449.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide is sourced from PubChem (CID 122245031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).