TL;DR: (3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl)(thiophen-2-ylsulfonyl)amide (CAS 1301737-11-0) is a chemical compound with molecular formula C19H19N5O2S2 and molecular weight 413.09802 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]-thiophen-2-ylsulfonylazanide
Also Known As: (3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl)(thiophen-2-ylsulfonyl)amide, [3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide, [3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]-thiophen-2-ylsulfonylazanide
| Molecular Formula | C19H19N5O2S2 |
| Molecular Weight | 413.09802 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.09802 Da |
| Heavy Atoms | 28 |
| Complexity | 614.0 |
| SMILES | CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CS4 |
| InChIKey | XPAFILBAIZKVDV-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that (3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl)(thiophen-2-ylsulfonyl)amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl)(thiophen-2-ylsulfonyl)amide. Following Lipinski's Rule of Five, (3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl)(thiophen-2-ylsulfonyl)amide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl)(thiophen-2-ylsulfonyl)amide is 1301737-11-0.
The molecular formula of (3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl)(thiophen-2-ylsulfonyl)amide is C19H19N5O2S2.
The molecular weight of (3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl)(thiophen-2-ylsulfonyl)amide is 413.09802 g/mol.
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