4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide

C26H23N3O4S — CID 3504051

IUPAC4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccc2c1OCCO2)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C26H23N3O4S/c30-23-17-34-26(29(23)16-18-5-2-1-3-6-18)20-11-9-19(10-12-20)25(31)28-27-15-21-7-4-8-22-24(21)33-14-13-32-22/h1-12,15,26H,13-14,16-17H2,(H,28,31)
InChIKeyBSQXHZRBQXCFSO-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.00
Rot. Bonds6

About 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide (PubChem CID 3504051) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide
PubChem CID3504051
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccc2c1OCCO2)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C26H23N3O4S/c30-23-17-34-26(29(23)16-18-5-2-1-3-6-18)20-11-9-19(10-12-20)25(31)28-27-15-21-7-4-8-22-24(21)33-14-13-32-22/h1-12,15,26H,13-14,16-17H2,(H,28,31)
InChIKeyBSQXHZRBQXCFSO-UHFFFAOYSA-N
XLogP4.00
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.00
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 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide 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

4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137077928
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(4-nitrophenyl)methylideneamino]benzamide
CID 2857217
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 40591599
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(Z)-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 124539765
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]benzamide
CID 3960717
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]benzamide
CID 3813867
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(Z)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 98058410
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 3494602
3-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-thiazolidin-4-one
CID 87151004
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 98103014
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124535004
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 133167509

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide?
The IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide (CID 3504051) is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide?
The canonical SMILES for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide is O=C(NN=Cc1cccc2c1OCCO2)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide?
The InChIKey is BSQXHZRBQXCFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c30-23-17-34-26(29(23)16-18-5-2-1-3-6-18)20-11-9-19(10-12-20)25(31)28-27-15-21-7-4-8-22-24(21)33-14-13-32-22/h1-12,15,26H,13-14,16-17H2,(H,28,31).
What are the key properties of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide?
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide has a molecular weight of 473.55 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino)benzamide is sourced from PubChem (CID 3504051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).