TL;DR: (Z)-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)-N-(m-tolyl)propionamide (CAS 361476-40-6) is a chemical compound with molecular formula C19H17NO2S and molecular weight 323.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-methylphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
Also Known As: BAS 02054956, (Z)-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)-N-(m-tolyl)propionamide, N-(3-Oxo-3H-benzo[b]thiophen-2-ylidenemethyl)-N-m-tolyl-propionamide, N-(3-methylphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]propanamide, N-(3-methylphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
| Molecular Formula | C19H17NO2S |
| Molecular Weight | 323.098 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.098 Da |
| Heavy Atoms | 23 |
| Complexity | 502.0 |
| SMILES | CCC(=O)N(/C=C\1/C(=O)C2=CC=CC=C2S1)C3=CC=CC(=C3)C |
| InChIKey | DTSILGBKNVXAIZ-ATVHPVEESA-N |
The XLogP value of 4.0 indicates that (Z)-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)-N-(m-tolyl)propionamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)-N-(m-tolyl)propionamide. Following Lipinski's Rule of Five, (Z)-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)-N-(m-tolyl)propionamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)-N-(m-tolyl)propionamide is 361476-40-6.
The molecular formula of (Z)-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)-N-(m-tolyl)propionamide is C19H17NO2S.
The molecular weight of (Z)-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)-N-(m-tolyl)propionamide is 323.098 g/mol.
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