N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide

C24H18ClN5O3S — CID 86577762

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide
SMILESO=C(CN1c2c(-c3ccccc3)n[nH]c2-c2ccccc2S1(=O)=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN5O3S/c25-18-12-10-16(11-13-18)14-26-27-21(31)15-30-24-22(17-6-2-1-3-7-17)28-29-23(24)19-8-4-5-9-20(19)34(30,32)33/h1-14H,15H2,(H,27,31)(H,28,29)/b26-14+
InChIKeyCGAFOJPBNILHND-VULFUBBASA-N
MW491.96 g/mol
LogP4.06
Rot. Bonds5

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide (PubChem CID 86577762) has the molecular formula C24H18ClN5O3S and a molecular weight of 491.96 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide
PubChem CID86577762
Molecular FormulaC24H18ClN5O3S
Molecular Weight491.96 g/mol
Exact Mass491.08
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide
SMILESO=C(CN1c2c(-c3ccccc3)n[nH]c2-c2ccccc2S1(=O)=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN5O3S/c25-18-12-10-16(11-13-18)14-26-27-21(31)15-30-24-22(17-6-2-1-3-7-17)28-29-23(24)19-8-4-5-9-20(19)34(30,32)33/h1-14H,15H2,(H,27,31)(H,28,29)/b26-14+
InChIKeyCGAFOJPBNILHND-VULFUBBASA-N
XLogP4.06
TPSA107.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.96
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide 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-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide
CID 86577763
N-[(E)-(3-bromophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide
CID 86577727
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methyl-5,5-dioxo-3-phenylpyrazolo[4,3-c][1,2]benzothiazin-1-yl)acetamide
CID 86580095
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6888323
N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 761031
N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871077
N-[(E)-benzylideneamino]-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-yl]oxy]acetamide
CID 72944132
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide
CID 71515235
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
N-[(E)-(4-chlorophenyl)methylideneamino]-2-indol-1-ylacetamide
CID 17080178
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide (CID 86577762) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide is O=C(CN1c2c(-c3ccccc3)n[nH]c2-c2ccccc2S1(=O)=O)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide?
The InChIKey is CGAFOJPBNILHND-VULFUBBASA-N. The full InChI is InChI=1S/C24H18ClN5O3S/c25-18-12-10-16(11-13-18)14-26-27-21(31)15-30-24-22(17-6-2-1-3-7-17)28-29-23(24)19-8-4-5-9-20(19)34(30,32)33/h1-14H,15H2,(H,27,31)(H,28,29)/b26-14+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide has a molecular weight of 491.96 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(5,5-dioxo-3-phenyl-1H-pyrazolo[4,3-c][1,2]benzothiazin-4-yl)acetamide is sourced from PubChem (CID 86577762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).