N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide

C18H14N4O5S — CID 3599808

IUPACN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide
SMILESCN(NC(=O)CN1C(=O)c2ccccc2C1=O)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C18H14N4O5S/c1-21(16-13-8-4-5-9-14(13)28(26,27)20-16)19-15(23)10-22-17(24)11-6-2-3-7-12(11)18(22)25/h2-9H,10H2,1H3,(H,19,23)
InChIKeyFNGFQOLPPXPHLI-UHFFFAOYSA-N
MW398.40 g/mol
LogP0.39
Rot. Bonds2

About N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide

N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide (PubChem CID 3599808) has the molecular formula C18H14N4O5S and a molecular weight of 398.40 g/mol. Its IUPAC name is N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide.

Molecular Properties

Compound NameN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide
PubChem CID3599808
Molecular FormulaC18H14N4O5S
Molecular Weight398.40 g/mol
Exact Mass398.07
IUPAC NameN'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide
SMILESCN(NC(=O)CN1C(=O)c2ccccc2C1=O)C1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C18H14N4O5S/c1-21(16-13-8-4-5-9-14(13)28(26,27)20-16)19-15(23)10-22-17(24)11-6-2-3-7-12(11)18(22)25/h2-9H,10H2,1H3,(H,19,23)
InChIKeyFNGFQOLPPXPHLI-UHFFFAOYSA-N
XLogP0.39
TPSA116.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl]-2-methylbenzamide
CID 135470117
N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetohydrazide
CID 1207620
N-(3-imino-1H-isoindol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrobromide
CID 12006257
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 1072635
3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide
CID 12006258
N-[3-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-ylamino)-2,2-dimethyl-propyl]-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 135417052
2-(2-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]ethyl)-1H-isoindole-1,3(2H)-dione
CID 135459247
3-(diethylsulfamoyl)-N-(3-imino-1H-isoindol-2-yl)benzamide
CID 3912027
N-(3-imino-1H-isoindol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4065177
3-[1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-(phenylcarbonyl)hydrazinyl]-N,N-diethylpropanamide
CID 3141848
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 12645872
N'-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetyl]-4-fluorobenzohydrazide
CID 9038114

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide?
The IUPAC name of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide (CID 3599808) is N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide.
What is the SMILES notation for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide?
The canonical SMILES for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide is CN(NC(=O)CN1C(=O)c2ccccc2C1=O)C1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide?
The InChIKey is FNGFQOLPPXPHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5S/c1-21(16-13-8-4-5-9-14(13)28(26,27)20-16)19-15(23)10-22-17(24)11-6-2-3-7-12(11)18(22)25/h2-9H,10H2,1H3,(H,19,23).
What are the key properties of N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide?
N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide has a molecular weight of 398.40 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)-N'-methylacetohydrazide is sourced from PubChem (CID 3599808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).