TL;DR: Sematilide (CAS 101526-83-4) is a chemical compound with molecular formula C14H23N3O3S and molecular weight 313.14603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide
Also Known As: Sematilide, sematilida, sematilidum, Sematilide [INN], SEMATILIDE [MI]
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H23N3O3S |
| Molecular Weight | 313.14603 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.14603 Da |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
| SMILES | CCN(CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C |
| InChIKey | KHYPYQZQJSBPIX-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sematilide. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Sematilide. Following Lipinski's Rule of Five, Sematilide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sematilide is 101526-83-4.
The molecular formula of Sematilide is C14H23N3O3S.
The molecular weight of Sematilide is 313.14603 g/mol.
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