TL;DR: 3-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide (CAS 352347-94-5) is a chemical compound with molecular formula C20H18Cl2N2OS and molecular weight 404.0517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide
Also Known As: BIM-0012799.P001, 3-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide, 3-chloro-N-[3-chloro-4-(piperidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide, (3-chlorobenzo[b]thiophen-2-yl)-N-(3-chloro-4-piperidylphenyl)carboxamide, 3-chloro-N-[3-chloro-4-(1-piperidinyl)phenyl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C20H18Cl2N2OS |
| Molecular Weight | 404.0517 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 60.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0517 Da |
| Heavy Atoms | 26 |
| Complexity | 502.0 |
| SMILES | C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)Cl |
| InChIKey | GPZUMKDYAPYSPW-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that 3-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide is 352347-94-5.
The molecular formula of 3-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide is C20H18Cl2N2OS.
The molecular weight of 3-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide is 404.0517 g/mol.
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