TL;DR: 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide (CAS 1164461-34-0) is a chemical compound with molecular formula C24H21N3O5S3 and molecular weight 527.06433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
Also Known As: 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide, 2-{3-[3-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-4-oxo-2-thioxo-thiazolidin-(5Z)-ylidene]-2-oxo-2,3-dihydro-indol-1-yl}-N-p-tolyl-acetamide, (Z)-2-(3-(3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxothiazolidin-5-ylidene)-2-oxoindolin-1-yl)-N-(p-tolyl)acetamide, 2-[(3Z)-3-[3-(1,1-diketothiolan-3-yl)-4-keto-2-thioxo-thiazolidin-5-ylidene]-2-keto-indolin-1-yl]-N-(p-tolyl)acetamide, 2-[(3Z)-3-[3-(1,1-dioxo-3-thiolanyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]-2-oxo-1-indolyl]-N-(4-methylphenyl)acetamide
| Molecular Formula | C24H21N3O5S3 |
| Molecular Weight | 527.06433 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 527.06433 Da |
| Heavy Atoms | 35 |
| Complexity | 1070.0 |
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C5CCS(=O)(=O)C5)/C2=O |
| InChIKey | MFOXMUZWSUDBMW-MRCUWXFGSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide. The TPSA of 170.0 Ų indicates high polarity, suggesting 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide is 1164461-34-0.
The molecular formula of 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide is C24H21N3O5S3.
The molecular weight of 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide is 527.06433 g/mol.
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