N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide

C24H20N2O4S — CID 1142825

IUPACN-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C24H20N2O4S/c27-22-14-31-24(26(22)13-16-4-2-1-3-5-16)18-8-6-17(7-9-18)23(28)25-19-10-11-20-21(12-19)30-15-29-20/h1-12,24H,13-15H2,(H,25,28)/t24-/m0/s1
InChIKeyIAQWFMWTEKNXRW-DEOSSOPVSA-N
MW432.50 g/mol
LogP4.44
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide

N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide (PubChem CID 1142825) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
PubChem CID1142825
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C24H20N2O4S/c27-22-14-31-24(26(22)13-16-4-2-1-3-5-16)18-8-6-17(7-9-18)23(28)25-19-10-11-20-21(12-19)30-15-29-20/h1-12,24H,13-15H2,(H,25,28)/t24-/m0/s1
InChIKeyIAQWFMWTEKNXRW-DEOSSOPVSA-N
XLogP4.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]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-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 99946733
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100500311
N-(1,3-benzodioxol-5-ylmethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 21371667
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 133167509
N-[4-(1-adamantyl)phenyl]-4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126034356
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126191619
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylphenyl)benzamide
CID 1245454
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopropylbenzamide
CID 1254009
N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532
4-N-(1,3-benzodioxol-5-yl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046758
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 1142986
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopentylbenzamide
CID 40560076

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide (CID 1142825) is N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is IAQWFMWTEKNXRW-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20N2O4S/c27-22-14-31-24(26(22)13-16-4-2-1-3-5-16)18-8-6-17(7-9-18)23(28)25-19-10-11-20-21(12-19)30-15-29-20/h1-12,24H,13-15H2,(H,25,28)/t24-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide?
N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 432.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 1142825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).