TL;DR: 2-methyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide (CAS 688031-41-6) is a chemical compound with molecular formula C23H23N3O2S and molecular weight 405.1511 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
Also Known As: BAS 11781134, AP-970/43375661, 2-methyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide, 2-methyl-N-{4-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl}benzamide, (2-methylphenyl)-N-{4-[4-(2-thienylcarbonyl)piperazinyl]phenyl}carboxamide
| Molecular Formula | C23H23N3O2S |
| Molecular Weight | 405.1511 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.1511 Da |
| Heavy Atoms | 29 |
| Complexity | 570.0 |
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4 |
| InChIKey | ZUKYLMPHWDEXNP-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2-methyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide. Following Lipinski's Rule of Five, 2-methyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide has 1 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 2-methyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide is 688031-41-6.
The molecular formula of 2-methyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide is C23H23N3O2S.
The molecular weight of 2-methyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide is 405.1511 g/mol.
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