TL;DR: 3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide (CAS 1011651-59-4) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.14603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,1-dioxothiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
Also Known As: 3-(1,1-dioxothiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide, 3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide, N-(2-(1H-indol-3-yl)ethyl)-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide
| Molecular Formula | C21H23N3O3S |
| Molecular Weight | 397.14603 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.14603 Da |
| Heavy Atoms | 28 |
| Complexity | 648.0 |
| SMILES | C1CCS(=O)(=O)N(C1)C2=CC=CC(=C2)C(=O)NCCC3=CNC4=CC=CC=C43 |
| InChIKey | OBVFCIJTFZGCBC-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide. Following Lipinski's Rule of Five, 3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is 1011651-59-4.
The molecular formula of 3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is C21H23N3O3S.
The molecular weight of 3-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is 397.14603 g/mol.
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