This study assesses the sustainability of bioethanol production from multiple agricultural feedstocks, including corn stover, wheat straw, and rice husk, using a life cycle assessment (LCA) method. The process focuses on converting lignocellulose biomass into bioethanol through advanced biotechnology, enriching energy security and supporting sustainable development in Pakistan. The process includes various stages of feedstock utilization, including cultivation, harvesting, transportation, preprocessing, and conversion, eventually yielding 1 kg of bioethanol with different inventories for each of the three feedstocks. A comparative analysis of the three feedstocks reveals that the wheat straw showed the highest environmental impacts, while rice husk exhibits the least environmental impacts and emerges as a more sustainable and viable option for bioethanol production. The economic assessment revealed the feasibility of bioethanol production, achieving a daily revenue of $9600 and a monthly income of $211,200, based on 22 working days in a single 8 h shift. The total initial capital investment cost was estimated at $478,515, while operational costs were calculated at $225,921. The external cost of the plant was evaluated at $14.23. Transitioning from grid-mix to renewable energy, such as photovoltaic systems, showed a reduction among three feedstocks. Therefore, bioethanol production not only addresses waste management challenges but also contributes to waste-to-energy conversion and renewable energy generation, aligning with public health goals and sustainable development. The findings highlight the potential of bioethanol production as a strategic solution to manage agricultural waste sustainably and reduce greenhouse gas emissions.