TL;DR: Benzo(b)thiophene-4-acetamide, N-(2,3-dihydro-2-(1-pyrrolidinyl)-1H-indol-1-yl)-N-methyl-, monohydrochloride, trans-(+-)- (CAS 116627-82-8) is a chemical compound with molecular formula C24H27ClN2OS and molecular weight 426.15326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide;hydrochloride
Also Known As: Benzo(b)thiophene-4-acetamide, N-(2,3-dihydro-2-(1-pyrrolidinyl)-1H-indol-1-yl)-N-methyl-, monohydrochloride, trans-(+-)-, 2-(1-Benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-(pyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]acetamide--hydrogen chloride (1/1), 2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide hydrochloride
| Molecular Formula | C24H27ClN2OS |
| Molecular Weight | 426.15326 g/mol |
| XLogP | 5.0858 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.15326 Da |
| Heavy Atoms | 29 |
| Complexity | 563.0 |
| SMILES | CN([C@H]1[C@@H](CC2=CC=CC=C12)N3CCCC3)C(=O)CC4=C5C=CSC5=CC=C4.Cl |
| InChIKey | IVAOBXVUSOQVRJ-MBUMRYSBSA-N |
The XLogP value of 5.0858 indicates that Benzo(b)thiophene-4-acetamide, N-(2,3-dihydro-2-(1-pyrrolidinyl)-1H-indol-1-yl)-N-methyl-, monohydrochloride, trans-(+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Benzo(b)thiophene-4-acetamide, N-(2,3-dihydro-2-(1-pyrrolidinyl)-1H-indol-1-yl)-N-methyl-, monohydrochloride, trans-(+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-4-acetamide, N-(2,3-dihydro-2-(1-pyrrolidinyl)-1H-indol-1-yl)-N-methyl-, monohydrochloride, trans-(+-)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzo(b)thiophene-4-acetamide, N-(2,3-dihydro-2-(1-pyrrolidinyl)-1H-indol-1-yl)-N-methyl-, monohydrochloride, trans-(+-)- is 116627-82-8.
The molecular formula of Benzo(b)thiophene-4-acetamide, N-(2,3-dihydro-2-(1-pyrrolidinyl)-1H-indol-1-yl)-N-methyl-, monohydrochloride, trans-(+-)- is C24H27ClN2OS.
The molecular weight of Benzo(b)thiophene-4-acetamide, N-(2,3-dihydro-2-(1-pyrrolidinyl)-1H-indol-1-yl)-N-methyl-, monohydrochloride, trans-(+-)- is 426.15326 g/mol.
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