N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide

C20H17Cl2N5O3S — CID 45112802

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide
SMILESCc1c2c(nn1CC(=O)N/N=C/c1ccc(Cl)cc1Cl)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C20H17Cl2N5O3S/c1-12-20-19(15-5-3-4-6-17(15)31(29,30)26(20)2)25-27(12)11-18(28)24-23-10-13-7-8-14(21)9-16(13)22/h3-10H,11H2,1-2H3,(H,24,28)/b23-10+
InChIKeyIUAHRTAUWRYPGG-AUEPDCJTSA-N
MW478.36 g/mol
LogP3.45
Rot. Bonds4

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide (PubChem CID 45112802) has the molecular formula C20H17Cl2N5O3S and a molecular weight of 478.36 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide
PubChem CID45112802
Molecular FormulaC20H17Cl2N5O3S
Molecular Weight478.36 g/mol
Exact Mass477.04
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide
SMILESCc1c2c(nn1CC(=O)N/N=C/c1ccc(Cl)cc1Cl)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C20H17Cl2N5O3S/c1-12-20-19(15-5-3-4-6-17(15)31(29,30)26(20)2)25-27(12)11-18(28)24-23-10-13-7-8-14(21)9-16(13)22/h3-10H,11H2,1-2H3,(H,24,28)/b23-10+
InChIKeyIUAHRTAUWRYPGG-AUEPDCJTSA-N
XLogP3.45
TPSA96.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-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

2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 45112680
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-[(2,4-dichlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 937151
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
2-(4-methyl-5,5-dioxo-3-phenylpyrazolo[4,3-c][1,2]benzothiazin-1-yl)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 86580117
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630450
2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 948248
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4188604

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide (CID 45112802) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide is Cc1c2c(nn1CC(=O)N/N=C/c1ccc(Cl)cc1Cl)-c1ccccc1S(=O)(=O)N2C.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide?
The InChIKey is IUAHRTAUWRYPGG-AUEPDCJTSA-N. The full InChI is InChI=1S/C20H17Cl2N5O3S/c1-12-20-19(15-5-3-4-6-17(15)31(29,30)26(20)2)25-27(12)11-18(28)24-23-10-13-7-8-14(21)9-16(13)22/h3-10H,11H2,1-2H3,(H,24,28)/b23-10+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide has a molecular weight of 478.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethyl-5,5-dioxopyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetamide is sourced from PubChem (CID 45112802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).